[(2R)-2-[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methylcarbamoyloxy]butyl] acetate

C25H28N4O7 — CID 10074535

IUPAC[(2R)-2-[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methylcarbamoyloxy]butyl] acetate
SMILESCC[C@H](COC(C)=O)OC(=O)NCc1cccc(NC(=O)Nc2ccc(-c3cnco3)c(OC)c2)c1
InChIInChI=1S/C25H28N4O7/c1-4-20(14-34-16(2)30)36-25(32)27-12-17-6-5-7-18(10-17)28-24(31)29-19-8-9-21(22(11-19)33-3)23-13-26-15-35-23/h5-11,13,15,20H,4,12,14H2,1-3H3,(H,27,32)(H2,28,29,31)/t20-/m1/s1
InChIKeyHKYLEVWROMTWOO-HXUWFJFHSA-N
MW496.52 g/mol
LogP4.56
Rot. Bonds10

About [(2R)-2-[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methylcarbamoyloxy]butyl] acetate

[(2R)-2-[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methylcarbamoyloxy]butyl] acetate (PubChem CID 10074535) has the molecular formula C25H28N4O7 and a molecular weight of 496.52 g/mol. Its IUPAC name is [(2R)-2-[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methylcarbamoyloxy]butyl] acetate.

Molecular Properties

Compound Name[(2R)-2-[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methylcarbamoyloxy]butyl] acetate
PubChem CID10074535
Molecular FormulaC25H28N4O7
Molecular Weight496.52 g/mol
Exact Mass496.20
IUPAC Name[(2R)-2-[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methylcarbamoyloxy]butyl] acetate
SMILESCC[C@H](COC(C)=O)OC(=O)NCc1cccc(NC(=O)Nc2ccc(-c3cnco3)c(OC)c2)c1
InChIInChI=1S/C25H28N4O7/c1-4-20(14-34-16(2)30)36-25(32)27-12-17-6-5-7-18(10-17)28-24(31)29-19-8-9-21(22(11-19)33-3)23-13-26-15-35-23/h5-11,13,15,20H,4,12,14H2,1-3H3,(H,27,32)(H2,28,29,31)/t20-/m1/s1
InChIKeyHKYLEVWROMTWOO-HXUWFJFHSA-N
XLogP4.56
TPSA141.02 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.52
LogP ≤ 54.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze [(2R)-2-[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methylcarbamoyloxy]butyl] acetate with MolForge

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Related Compounds

1-carbamoyloxybutan-2-yl N-[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate
CID 18343102
[(2R)-2-[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methylcarbamoyloxy]butyl] (2R)-2-amino-3-methylbutanoate
CID 59924986
2-[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methylcarbamoyloxy]butyl (2R)-2,5-diamino-5-oxopentanoate
CID 58680213
[(2R)-1-[(3R)-3,5-diamino-5-oxopentan-2-yl]oxybutan-2-yl] N-[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate
CID 58644817
1-aminobutan-2-yl N-[[3-[[3-methyl-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate
CID 23546200
[1-cyano-3-[ethyl(methyl)amino]propan-2-yl] N-[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate
CID 71063366
1-hydroxybutan-2-yl N-[[3-[[3-methyl-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate
CID 18343082
[(2R)-1-hydroxybutan-2-yl] N-[[3-[[3-methyl-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate
CID 59925007
[(1R)-2-(diethylamino)-1-phenylethyl] N-[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate
CID 59924995
[(2R)-3-cyano-2-(dimethylamino)propyl] N-[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate
CID 59925009
[2-[ethyl(propyl)amino]-1-phenylethyl] N-[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate
CID 18343125
cyclohexyl N-[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate
CID 91800673

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methylcarbamoyloxy]butyl] acetate?
The IUPAC name of [(2R)-2-[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methylcarbamoyloxy]butyl] acetate (CID 10074535) is [(2R)-2-[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methylcarbamoyloxy]butyl] acetate.
What is the SMILES notation for [(2R)-2-[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methylcarbamoyloxy]butyl] acetate?
The canonical SMILES for [(2R)-2-[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methylcarbamoyloxy]butyl] acetate is CC[C@H](COC(C)=O)OC(=O)NCc1cccc(NC(=O)Nc2ccc(-c3cnco3)c(OC)c2)c1.
What is the InChIKey of [(2R)-2-[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methylcarbamoyloxy]butyl] acetate?
The InChIKey is HKYLEVWROMTWOO-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H28N4O7/c1-4-20(14-34-16(2)30)36-25(32)27-12-17-6-5-7-18(10-17)28-24(31)29-19-8-9-21(22(11-19)33-3)23-13-26-15-35-23/h5-11,13,15,20H,4,12,14H2,1-3H3,(H,27,32)(H2,28,29,31)/t20-/m1/s1.
What are the key properties of [(2R)-2-[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methylcarbamoyloxy]butyl] acetate?
[(2R)-2-[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methylcarbamoyloxy]butyl] acetate has a molecular weight of 496.52 g/mol, XLogP of 4.56, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methylcarbamoyloxy]butyl] acetate is sourced from PubChem (CID 10074535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).