[(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

C26H24F4N4O7 — CID 174981312

IUPAC[(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
SMILESC[C@H](OC(N)=O)c1oc(-c2ccc(OC(F)F)c(OCC3CC3)c2)nc1C(=O)NC(C(N)=O)c1ccc(F)cc1F
InChIInChI=1S/C26H24F4N4O7/c1-11(39-26(32)37)21-20(23(36)33-19(22(31)35)15-6-5-14(27)9-16(15)28)34-24(41-21)13-4-7-17(40-25(29)30)18(8-13)38-10-12-2-3-12/h4-9,11-12,19,25H,2-3,10H2,1H3,(H2,31,35)(H2,32,37)(H,33,36)/t11-,19?/m0/s1
InChIKeyCQDQLEWWJSWZLY-IFGYVTRGSA-N
MW580.49 g/mol
LogP4.12
Rot. Bonds12

About [(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

[(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 (PubChem CID 174981312) has the molecular formula C26H24F4N4O7 and a molecular weight of 580.49 g/mol. Its IUPAC name is [(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.

Molecular Properties

Compound Name[(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
PubChem CID174981312
Molecular FormulaC26H24F4N4O7
Molecular Weight580.49 g/mol
Exact Mass580.16
IUPAC Name[(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
SMILESC[C@H](OC(N)=O)c1oc(-c2ccc(OC(F)F)c(OCC3CC3)c2)nc1C(=O)NC(C(N)=O)c1ccc(F)cc1F
InChIInChI=1S/C26H24F4N4O7/c1-11(39-26(32)37)21-20(23(36)33-19(22(31)35)15-6-5-14(27)9-16(15)28)34-24(41-21)13-4-7-17(40-25(29)30)18(8-13)38-10-12-2-3-12/h4-9,11-12,19,25H,2-3,10H2,1H3,(H2,31,35)(H2,32,37)(H,33,36)/t11-,19?/m0/s1
InChIKeyCQDQLEWWJSWZLY-IFGYVTRGSA-N
XLogP4.12
TPSA169.00 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500580.49
LogP ≤ 54.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze [(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 with MolForge

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Related Compounds

[(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
[(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
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
[(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
1-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-4-[(2,4-difluorophenyl)carbamoyl]-1,3-oxazol-5-yl]ethyl carbamate
CID 174981701
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
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
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
propan-2-yl (2S)-2-[[2-[[5-[(1S)-1-aminoethyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazole-4-carbonyl]amino]-2-(2,4-difluorophenyl)acetyl]amino]propanoate
CID 118475848

Frequently Asked Questions

What is the IUPAC name of [(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?
The IUPAC name of [(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) is [(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.
What is the SMILES notation for [(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?
The canonical SMILES for [(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 is C[C@H](OC(N)=O)c1oc(-c2ccc(OC(F)F)c(OCC3CC3)c2)nc1C(=O)NC(C(N)=O)c1ccc(F)cc1F.
What is the InChIKey of [(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?
The InChIKey is CQDQLEWWJSWZLY-IFGYVTRGSA-N. The full InChI is InChI=1S/C26H24F4N4O7/c1-11(39-26(32)37)21-20(23(36)33-19(22(31)35)15-6-5-14(27)9-16(15)28)34-24(41-21)13-4-7-17(40-25(29)30)18(8-13)38-10-12-2-3-12/h4-9,11-12,19,25H,2-3,10H2,1H3,(H2,31,35)(H2,32,37)(H,33,36)/t11-,19?/m0/s1.
What are the key properties of [(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?
[(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 has a molecular weight of 580.49 g/mol, XLogP of 4.12, 12 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(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 is sourced from PubChem (CID 174981312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).