ethane;[(3S)-oxolan-3-yl] N-[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate

C25H30N4O6 — CID 91572160

IUPACethane;[(3S)-oxolan-3-yl] N-[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate
SMILESCC.COc1cc(NC(=O)Nc2cccc(CNC(=O)O[C@H]3CCOC3)c2)ccc1-c1cnco1
InChIInChI=1S/C23H24N4O6.C2H6/c1-30-20-10-17(5-6-19(20)21-12-24-14-32-21)27-22(28)26-16-4-2-3-15(9-16)11-25-23(29)33-18-7-8-31-13-18;1-2/h2-6,9-10,12,14,18H,7-8,11,13H2,1H3,(H,25,29)(H2,26,27,28);1-2H3/t18-;/m0./s1
InChIKeyXYDDFZKGJBOYBI-FERBBOLQSA-N
MW482.54 g/mol
LogP5.04
Rot. Bonds7

About ethane;[(3S)-oxolan-3-yl] N-[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate

ethane;[(3S)-oxolan-3-yl] N-[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate (PubChem CID 91572160) has the molecular formula C25H30N4O6 and a molecular weight of 482.54 g/mol. Its IUPAC name is ethane;[(3S)-oxolan-3-yl] N-[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate.

Molecular Properties

Compound Nameethane;[(3S)-oxolan-3-yl] N-[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate
PubChem CID91572160
Molecular FormulaC25H30N4O6
Molecular Weight482.54 g/mol
Exact Mass482.22
IUPAC Nameethane;[(3S)-oxolan-3-yl] N-[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate
SMILESCC.COc1cc(NC(=O)Nc2cccc(CNC(=O)O[C@H]3CCOC3)c2)ccc1-c1cnco1
InChIInChI=1S/C23H24N4O6.C2H6/c1-30-20-10-17(5-6-19(20)21-12-24-14-32-21)27-22(28)26-16-4-2-3-15(9-16)11-25-23(29)33-18-7-8-31-13-18;1-2/h2-6,9-10,12,14,18H,7-8,11,13H2,1H3,(H,25,29)(H2,26,27,28);1-2H3/t18-;/m0./s1
InChIKeyXYDDFZKGJBOYBI-FERBBOLQSA-N
XLogP5.04
TPSA123.95 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.54
LogP ≤ 55.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

oxolan-3-yl N-[[3-[[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-2-oxoacetyl]amino]phenyl]methyl]carbamate
CID 22058490
methane;[(3S)-oxolan-3-yl] N-[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate;phenyl N-[3-[[[(3S)-oxolan-3-yl]oxycarbonylamino]methyl]phenyl]carbamate
CID 157293080
cyclohexyl N-[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate
CID 91800673
cyclopentyl N-[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate;morpholine
CID 142907089
ethoxy-[[2-(1,3-oxazol-5-yl)-5-[[3-[[[(3S)-oxolan-3-yl]oxycarbonylamino]methyl]phenyl]carbamoylamino]phenoxy]methyl]phosphinic acid
CID 89245141
oxolan-3-yl N-[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]benzoyl]carbamate
CID 155661853
oxolan-3-yl N-[[3-[2-[3-methyl-4-(1,3-oxazol-5-yl)anilino]-2-oxoethyl]phenyl]methyl]carbamate
CID 20604859
[(3S)-oxolan-3-yl] N-[[3-[[3-hydroxy-6-methoxy-3-methyl-5-(1,3-oxazol-5-yl)cyclohepta-1,4,6-trien-1-yl]carbamoylamino]phenyl]methyl]carbamate
CID 163492198
[(3S)-oxolan-3-yl] N-[(2E,4E)-4-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]-2-methylhepta-2,4,6-trienyl]carbamate
CID 89228093
[(2R)-2-[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methylcarbamoyloxy]butyl] acetate
CID 10074535
1-carbamoyloxybutan-2-yl N-[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate
CID 18343102
3-methyl-4-(1,3-oxazol-5-yl)aniline;[(3S)-oxolan-3-yl] N-[[3-[2-[3-methyl-4-(1,3-oxazol-5-yl)anilino]-2-oxoethyl]phenyl]methyl]carbamate;2-[3-[[[(3S)-oxolan-3-yl]oxycarbonylamino]methyl]phenyl]acetic acid
CID 160711986

Frequently Asked Questions

What is the IUPAC name of ethane;[(3S)-oxolan-3-yl] N-[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate?
The IUPAC name of ethane;[(3S)-oxolan-3-yl] N-[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate (CID 91572160) is ethane;[(3S)-oxolan-3-yl] N-[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate.
What is the SMILES notation for ethane;[(3S)-oxolan-3-yl] N-[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate?
The canonical SMILES for ethane;[(3S)-oxolan-3-yl] N-[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate is CC.COc1cc(NC(=O)Nc2cccc(CNC(=O)O[C@H]3CCOC3)c2)ccc1-c1cnco1.
What is the InChIKey of ethane;[(3S)-oxolan-3-yl] N-[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate?
The InChIKey is XYDDFZKGJBOYBI-FERBBOLQSA-N. The full InChI is InChI=1S/C23H24N4O6.C2H6/c1-30-20-10-17(5-6-19(20)21-12-24-14-32-21)27-22(28)26-16-4-2-3-15(9-16)11-25-23(29)33-18-7-8-31-13-18;1-2/h2-6,9-10,12,14,18H,7-8,11,13H2,1H3,(H,25,29)(H2,26,27,28);1-2H3/t18-;/m0./s1.
What are the key properties of ethane;[(3S)-oxolan-3-yl] N-[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate?
ethane;[(3S)-oxolan-3-yl] N-[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate has a molecular weight of 482.54 g/mol, XLogP of 5.04, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[(3S)-oxolan-3-yl] N-[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate is sourced from PubChem (CID 91572160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).