[(1S)-1-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-4-[[1-(2,4-difluorophenyl)-2-morpholin-4-yl-2-oxoethyl]carbamoyl]-1,3-oxazol-5-yl]ethyl] carbamate

C30H30F4N4O8 — CID 174982927

IUPAC[(1S)-1-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-4-[[1-(2,4-difluorophenyl)-2-morpholin-4-yl-2-oxoethyl]carbamoyl]-1,3-oxazol-5-yl]ethyl] carbamate
SMILESC[C@H](OC(N)=O)c1oc(-c2ccc(OC(F)F)c(OCC3CC3)c2)nc1C(=O)NC(C(=O)N1CCOCC1)c1ccc(F)cc1F
InChIInChI=1S/C30H30F4N4O8/c1-15(44-30(35)41)25-24(37-27(46-25)17-4-7-21(45-29(33)34)22(12-17)43-14-16-2-3-16)26(39)36-23(19-6-5-18(31)13-20(19)32)28(40)38-8-10-42-11-9-38/h4-7,12-13,15-16,23,29H,2-3,8-11,14H2,1H3,(H2,35,41)(H,36,39)/t15-,23?/m0/s1
InChIKeyIFIGDSCPXBTLQW-NGMICRHFSA-N
MW650.58 g/mol
LogP4.50
Rot. Bonds12

About [(1S)-1-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-4-[[1-(2,4-difluorophenyl)-2-morpholin-4-yl-2-oxoethyl]carbamoyl]-1,3-oxazol-5-yl]ethyl] carbamate

[(1S)-1-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-4-[[1-(2,4-difluorophenyl)-2-morpholin-4-yl-2-oxoethyl]carbamoyl]-1,3-oxazol-5-yl]ethyl] carbamate (PubChem CID 174982927) has the molecular formula C30H30F4N4O8 and a molecular weight of 650.58 g/mol. Its IUPAC name is [(1S)-1-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-4-[[1-(2,4-difluorophenyl)-2-morpholin-4-yl-2-oxoethyl]carbamoyl]-1,3-oxazol-5-yl]ethyl] carbamate.

Molecular Properties

Compound Name[(1S)-1-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-4-[[1-(2,4-difluorophenyl)-2-morpholin-4-yl-2-oxoethyl]carbamoyl]-1,3-oxazol-5-yl]ethyl] carbamate
PubChem CID174982927
Molecular FormulaC30H30F4N4O8
Molecular Weight650.58 g/mol
Exact Mass650.20
IUPAC Name[(1S)-1-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-4-[[1-(2,4-difluorophenyl)-2-morpholin-4-yl-2-oxoethyl]carbamoyl]-1,3-oxazol-5-yl]ethyl] carbamate
SMILESC[C@H](OC(N)=O)c1oc(-c2ccc(OC(F)F)c(OCC3CC3)c2)nc1C(=O)NC(C(=O)N1CCOCC1)c1ccc(F)cc1F
InChIInChI=1S/C30H30F4N4O8/c1-15(44-30(35)41)25-24(37-27(46-25)17-4-7-21(45-29(33)34)22(12-17)43-14-16-2-3-16)26(39)36-23(19-6-5-18(31)13-20(19)32)28(40)38-8-10-42-11-9-38/h4-7,12-13,15-16,23,29H,2-3,8-11,14H2,1H3,(H2,35,41)(H,36,39)/t15-,23?/m0/s1
InChIKeyIFIGDSCPXBTLQW-NGMICRHFSA-N
XLogP4.50
TPSA155.45 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500650.58
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze [(1S)-1-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-4-[[1-(2,4-difluorophenyl)-2-morpholin-4-yl-2-oxoethyl]carbamoyl]-1,3-oxazol-5-yl]ethyl] carbamate with MolForge

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Related Compounds

[(1S)-1-[4-[[2-amino-1-(2,4-difluorophenyl)-2-oxoethyl]carbamoyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazol-5-yl]ethyl] carbamate
CID 174981312
[(1S)-1-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-4-[[1-(2,4-difluorophenyl)-2-oxo-2-(sulfamoylamino)ethyl]carbamoyl]-1,3-oxazol-5-yl]ethyl] carbamate
CID 175332119
1-[4-[[2-amino-1-(2,4-difluorophenyl)ethyl]carbamoyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazol-5-yl]ethyl carbamate
CID 174982871
1-[4-[[2-(carbamoylamino)-1-(2,4-difluorophenyl)ethyl]carbamoyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazol-5-yl]ethyl carbamate
CID 174982988
1-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-4-[(2,4-difluorophenyl)carbamoyl]-1,3-oxazol-5-yl]ethyl carbamate
CID 174981701
5-[(1S)-1-aminoethyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-N-[1-(2,4-difluorophenyl)-2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethyl]-1,3-oxazole-4-carboxamide;trihydrochloride
CID 174982903
methyl 2-[[5-(1-aminoethyl)-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazole-4-carbonyl]amino]-2-(2,4-difluorophenyl)acetate;hydrochloride
CID 174981327
methyl 2-[[5-[(1S)-1-aminoethyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazole-4-carbonyl]amino]-2-(2,4-difluorophenyl)acetate;hydrochloride
CID 174981325
5-[(1S)-1-aminoethyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-N-[1-(2,4-difluorophenyl)-2-oxo-2-(2-propan-2-ylhydrazinyl)ethyl]-1,3-oxazole-4-carboxamide
CID 118475869
5-[(1S)-1-aminoethyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-N-[(1R)-1-(2,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-1,3-oxazole-4-carboxamide;hydrochloride
CID 141414191
5-[(1S)-1-aminoethyl]-N-[2-[(2-amino-2-oxoethyl)amino]-1-(2,4-difluorophenyl)-2-oxoethyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazole-4-carboxamide
CID 118475978
[(1S)-1-[4-[[2-amino-1-(2,4-difluorophenyl)-2-oxoethyl]carbamoyl]-2-[4-(difluoromethoxy)-3-phenylmethoxyphenyl]-1,3-oxazol-5-yl]ethyl] carbamate
CID 174981323

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-4-[[1-(2,4-difluorophenyl)-2-morpholin-4-yl-2-oxoethyl]carbamoyl]-1,3-oxazol-5-yl]ethyl] carbamate?
The IUPAC name of [(1S)-1-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-4-[[1-(2,4-difluorophenyl)-2-morpholin-4-yl-2-oxoethyl]carbamoyl]-1,3-oxazol-5-yl]ethyl] carbamate (CID 174982927) is [(1S)-1-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-4-[[1-(2,4-difluorophenyl)-2-morpholin-4-yl-2-oxoethyl]carbamoyl]-1,3-oxazol-5-yl]ethyl] carbamate.
What is the SMILES notation for [(1S)-1-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-4-[[1-(2,4-difluorophenyl)-2-morpholin-4-yl-2-oxoethyl]carbamoyl]-1,3-oxazol-5-yl]ethyl] carbamate?
The canonical SMILES for [(1S)-1-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-4-[[1-(2,4-difluorophenyl)-2-morpholin-4-yl-2-oxoethyl]carbamoyl]-1,3-oxazol-5-yl]ethyl] carbamate is C[C@H](OC(N)=O)c1oc(-c2ccc(OC(F)F)c(OCC3CC3)c2)nc1C(=O)NC(C(=O)N1CCOCC1)c1ccc(F)cc1F.
What is the InChIKey of [(1S)-1-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-4-[[1-(2,4-difluorophenyl)-2-morpholin-4-yl-2-oxoethyl]carbamoyl]-1,3-oxazol-5-yl]ethyl] carbamate?
The InChIKey is IFIGDSCPXBTLQW-NGMICRHFSA-N. The full InChI is InChI=1S/C30H30F4N4O8/c1-15(44-30(35)41)25-24(37-27(46-25)17-4-7-21(45-29(33)34)22(12-17)43-14-16-2-3-16)26(39)36-23(19-6-5-18(31)13-20(19)32)28(40)38-8-10-42-11-9-38/h4-7,12-13,15-16,23,29H,2-3,8-11,14H2,1H3,(H2,35,41)(H,36,39)/t15-,23?/m0/s1.
What are the key properties of [(1S)-1-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-4-[[1-(2,4-difluorophenyl)-2-morpholin-4-yl-2-oxoethyl]carbamoyl]-1,3-oxazol-5-yl]ethyl] carbamate?
[(1S)-1-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-4-[[1-(2,4-difluorophenyl)-2-morpholin-4-yl-2-oxoethyl]carbamoyl]-1,3-oxazol-5-yl]ethyl] carbamate has a molecular weight of 650.58 g/mol, XLogP of 4.50, 12 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-4-[[1-(2,4-difluorophenyl)-2-morpholin-4-yl-2-oxoethyl]carbamoyl]-1,3-oxazol-5-yl]ethyl] carbamate is sourced from PubChem (CID 174982927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).