benzyl N-[(2-methyl-1,3-oxazol-4-yl)methyl]carbamate

C13H14N2O3 — CID 110714627

IUPACbenzyl N-[(2-methyl-1,3-oxazol-4-yl)methyl]carbamate
SMILESCc1nc(CNC(=O)OCc2ccccc2)co1
InChIInChI=1S/C13H14N2O3/c1-10-15-12(9-17-10)7-14-13(16)18-8-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,14,16)
InChIKeyDAFBXNGXNAZSDR-UHFFFAOYSA-N
MW246.27 g/mol
LogP2.41
Rot. Bonds4

About benzyl N-[(2-methyl-1,3-oxazol-4-yl)methyl]carbamate

benzyl N-[(2-methyl-1,3-oxazol-4-yl)methyl]carbamate (PubChem CID 110714627) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is benzyl N-[(2-methyl-1,3-oxazol-4-yl)methyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2-methyl-1,3-oxazol-4-yl)methyl]carbamate
PubChem CID110714627
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Namebenzyl N-[(2-methyl-1,3-oxazol-4-yl)methyl]carbamate
SMILESCc1nc(CNC(=O)OCc2ccccc2)co1
InChIInChI=1S/C13H14N2O3/c1-10-15-12(9-17-10)7-14-13(16)18-8-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,14,16)
InChIKeyDAFBXNGXNAZSDR-UHFFFAOYSA-N
XLogP2.41
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[(4-methyl-1,3-oxazol-5-yl)methyl]carbamate
CID 23532304
benzyl N-[[(1R,5S)-6-(2-methyl-1,3-oxazol-4-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]carbamate
CID 171410240
benzyl N-[[6-(phenylmethoxycarbonylaminomethyl)-1,2,4,5-tetrazin-3-yl]methyl]carbamate
CID 71477342
3-(phenylmethoxycarbonylaminomethyl)-1,2-oxazole-5-carboxylic acid
CID 167722476
benzyl N-(furan-2-ylmethyl)carbamate
CID 10220238
benzyl N-methylcarbamate;benzyl N-[(4-methyl-1,3-thiazol-2-yl)methyl]carbamate
CID 160848771
benzyl N-(phenylmethoxycarbonylaminomethyl)carbamate
CID 13001569
benzyl N-(2,2-dimethylpropyl)carbamate
CID 10846637
benzyl N-[2-(methylamino)ethyl]carbamate
CID 10822258
benzyl N-[2-[2-(ethoxycarbonylamino)ethylamino]ethyl]carbamate
CID 139472317
benzyl N-[7-(phenylmethoxycarbonylamino)heptyl]carbamate
CID 562919
benzyl N-[18-(phenylmethoxycarbonylamino)octadecyl]carbamate
CID 67828631

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2-methyl-1,3-oxazol-4-yl)methyl]carbamate?
The IUPAC name of benzyl N-[(2-methyl-1,3-oxazol-4-yl)methyl]carbamate (CID 110714627) is benzyl N-[(2-methyl-1,3-oxazol-4-yl)methyl]carbamate.
What is the SMILES notation for benzyl N-[(2-methyl-1,3-oxazol-4-yl)methyl]carbamate?
The canonical SMILES for benzyl N-[(2-methyl-1,3-oxazol-4-yl)methyl]carbamate is Cc1nc(CNC(=O)OCc2ccccc2)co1.
What is the InChIKey of benzyl N-[(2-methyl-1,3-oxazol-4-yl)methyl]carbamate?
The InChIKey is DAFBXNGXNAZSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-10-15-12(9-17-10)7-14-13(16)18-8-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,14,16).
What are the key properties of benzyl N-[(2-methyl-1,3-oxazol-4-yl)methyl]carbamate?
benzyl N-[(2-methyl-1,3-oxazol-4-yl)methyl]carbamate has a molecular weight of 246.27 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2-methyl-1,3-oxazol-4-yl)methyl]carbamate is sourced from PubChem (CID 110714627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).