benzyl N-[[(4S,5R)-5-methyl-4-(methylcarbamoyl)-4,5-dihydro-1,3-oxazol-2-yl]methyl]carbamate

C15H19N3O4 — CID 134984638

IUPACbenzyl N-[[(4S,5R)-5-methyl-4-(methylcarbamoyl)-4,5-dihydro-1,3-oxazol-2-yl]methyl]carbamate
SMILESCNC(=O)[C@H]1N=C(CNC(=O)OCc2ccccc2)O[C@@H]1C
InChIInChI=1S/C15H19N3O4/c1-10-13(14(19)16-2)18-12(22-10)8-17-15(20)21-9-11-6-4-3-5-7-11/h3-7,10,13H,8-9H2,1-2H3,(H,16,19)(H,17,20)/t10-,13+/m1/s1
InChIKeyWKMAHMSIGFEWSS-MFKMUULPSA-N
MW305.33 g/mol
LogP0.84
Rot. Bonds5

About benzyl N-[[(4S,5R)-5-methyl-4-(methylcarbamoyl)-4,5-dihydro-1,3-oxazol-2-yl]methyl]carbamate

benzyl N-[[(4S,5R)-5-methyl-4-(methylcarbamoyl)-4,5-dihydro-1,3-oxazol-2-yl]methyl]carbamate (PubChem CID 134984638) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is benzyl N-[[(4S,5R)-5-methyl-4-(methylcarbamoyl)-4,5-dihydro-1,3-oxazol-2-yl]methyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[[(4S,5R)-5-methyl-4-(methylcarbamoyl)-4,5-dihydro-1,3-oxazol-2-yl]methyl]carbamate
PubChem CID134984638
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC Namebenzyl N-[[(4S,5R)-5-methyl-4-(methylcarbamoyl)-4,5-dihydro-1,3-oxazol-2-yl]methyl]carbamate
SMILESCNC(=O)[C@H]1N=C(CNC(=O)OCc2ccccc2)O[C@@H]1C
InChIInChI=1S/C15H19N3O4/c1-10-13(14(19)16-2)18-12(22-10)8-17-15(20)21-9-11-6-4-3-5-7-11/h3-7,10,13H,8-9H2,1-2H3,(H,16,19)(H,17,20)/t10-,13+/m1/s1
InChIKeyWKMAHMSIGFEWSS-MFKMUULPSA-N
XLogP0.84
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl N-[(4-methyl-1,3-oxazol-5-yl)methyl]carbamate
CID 23532304
benzyl N-[[6-(phenylmethoxycarbonylaminomethyl)-1,2,4,5-tetrazin-3-yl]methyl]carbamate
CID 71477342
benzyl N-[2-(methylamino)ethyl]carbamate
CID 10822258
benzyl N-[[4-(methylcarbamoyl)phenyl]methyl]carbamate
CID 1480002
5-bromo-2-(phenylmethoxycarbonylaminomethyl)furan-3-carboxylic acid
CID 167734905
4-(phenylmethoxycarbonylaminomethyl)benzoic acid
CID 1479997
benzyl N-(phenylmethoxycarbonylaminomethyl)carbamate
CID 13001569
benzyl N-[(2-methyl-1,3-oxazol-4-yl)methyl]carbamate
CID 110714627
benzyl N-[(3-methoxyphenyl)methyl]carbamate
CID 110779928
benzyl N-[[2,2-dimethyl-5-(phenylmethoxycarbonylaminomethyl)-1,3-dioxolan-4-yl]methyl]carbamate
CID 563810
acetamide;2-(phenylmethoxycarbonylamino)acetic acid
CID 142382396
benzyl N-[2-(methylamino)-3-(phenylmethoxycarbonylamino)propyl]carbamate
CID 59366972

Frequently Asked Questions

What is the IUPAC name of benzyl N-[[(4S,5R)-5-methyl-4-(methylcarbamoyl)-4,5-dihydro-1,3-oxazol-2-yl]methyl]carbamate?
The IUPAC name of benzyl N-[[(4S,5R)-5-methyl-4-(methylcarbamoyl)-4,5-dihydro-1,3-oxazol-2-yl]methyl]carbamate (CID 134984638) is benzyl N-[[(4S,5R)-5-methyl-4-(methylcarbamoyl)-4,5-dihydro-1,3-oxazol-2-yl]methyl]carbamate.
What is the SMILES notation for benzyl N-[[(4S,5R)-5-methyl-4-(methylcarbamoyl)-4,5-dihydro-1,3-oxazol-2-yl]methyl]carbamate?
The canonical SMILES for benzyl N-[[(4S,5R)-5-methyl-4-(methylcarbamoyl)-4,5-dihydro-1,3-oxazol-2-yl]methyl]carbamate is CNC(=O)[C@H]1N=C(CNC(=O)OCc2ccccc2)O[C@@H]1C.
What is the InChIKey of benzyl N-[[(4S,5R)-5-methyl-4-(methylcarbamoyl)-4,5-dihydro-1,3-oxazol-2-yl]methyl]carbamate?
The InChIKey is WKMAHMSIGFEWSS-MFKMUULPSA-N. The full InChI is InChI=1S/C15H19N3O4/c1-10-13(14(19)16-2)18-12(22-10)8-17-15(20)21-9-11-6-4-3-5-7-11/h3-7,10,13H,8-9H2,1-2H3,(H,16,19)(H,17,20)/t10-,13+/m1/s1.
What are the key properties of benzyl N-[[(4S,5R)-5-methyl-4-(methylcarbamoyl)-4,5-dihydro-1,3-oxazol-2-yl]methyl]carbamate?
benzyl N-[[(4S,5R)-5-methyl-4-(methylcarbamoyl)-4,5-dihydro-1,3-oxazol-2-yl]methyl]carbamate has a molecular weight of 305.33 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[[(4S,5R)-5-methyl-4-(methylcarbamoyl)-4,5-dihydro-1,3-oxazol-2-yl]methyl]carbamate is sourced from PubChem (CID 134984638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).