benzyl N-[(4-methyl-1,3-oxazol-5-yl)methyl]carbamate

C13H14N2O3 — CID 23532304

IUPACbenzyl N-[(4-methyl-1,3-oxazol-5-yl)methyl]carbamate
SMILESCc1ncoc1CNC(=O)OCc1ccccc1
InChIInChI=1S/C13H14N2O3/c1-10-12(18-9-15-10)7-14-13(16)17-8-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,14,16)
InChIKeyLBSDPIUJVMCISP-UHFFFAOYSA-N
MW246.27 g/mol
LogP2.41
Rot. Bonds4

About benzyl N-[(4-methyl-1,3-oxazol-5-yl)methyl]carbamate

benzyl N-[(4-methyl-1,3-oxazol-5-yl)methyl]carbamate (PubChem CID 23532304) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is benzyl N-[(4-methyl-1,3-oxazol-5-yl)methyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(4-methyl-1,3-oxazol-5-yl)methyl]carbamate
PubChem CID23532304
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Namebenzyl N-[(4-methyl-1,3-oxazol-5-yl)methyl]carbamate
SMILESCc1ncoc1CNC(=O)OCc1ccccc1
InChIInChI=1S/C13H14N2O3/c1-10-12(18-9-15-10)7-14-13(16)17-8-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,14,16)
InChIKeyLBSDPIUJVMCISP-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-[(2-methyl-1,3-oxazol-4-yl)methyl]carbamate
CID 110714627
benzyl N-[[6-(phenylmethoxycarbonylaminomethyl)-1,2,4,5-tetrazin-3-yl]methyl]carbamate
CID 71477342
(3-ethylphenyl)methyl N-benzylcarbamate
CID 174484716
benzyl N-(furan-2-ylmethyl)carbamate
CID 10220238
3-(phenylmethoxycarbonylamino)propyl N-[[3-[[3-(phenylmethoxycarbonylamino)propoxycarbonylamino]methyl]phenyl]methyl]carbamate
CID 118581814
benzyl N-(phenylmethoxycarbonylaminomethyl)carbamate
CID 13001569
benzyl N-[18-(phenylmethoxycarbonylamino)octadecyl]carbamate
CID 67828631
benzyl N-[7-(phenylmethoxycarbonylamino)heptyl]carbamate
CID 562919
benzyl N-[(3-methoxyphenyl)methyl]carbamate
CID 110779928
benzyl N-[[4-(methylcarbamoyl)phenyl]methyl]carbamate
CID 1480002
benzyl N-[[(4S,5R)-5-methyl-4-(methylcarbamoyl)-4,5-dihydro-1,3-oxazol-2-yl]methyl]carbamate
CID 134984638
benzyl N-[(3-methyl-1-phenylmethoxypyrazol-4-yl)methyl]carbamate
CID 71561573

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(4-methyl-1,3-oxazol-5-yl)methyl]carbamate?
The IUPAC name of benzyl N-[(4-methyl-1,3-oxazol-5-yl)methyl]carbamate (CID 23532304) is benzyl N-[(4-methyl-1,3-oxazol-5-yl)methyl]carbamate.
What is the SMILES notation for benzyl N-[(4-methyl-1,3-oxazol-5-yl)methyl]carbamate?
The canonical SMILES for benzyl N-[(4-methyl-1,3-oxazol-5-yl)methyl]carbamate is Cc1ncoc1CNC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[(4-methyl-1,3-oxazol-5-yl)methyl]carbamate?
The InChIKey is LBSDPIUJVMCISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-10-12(18-9-15-10)7-14-13(16)17-8-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,14,16).
What are the key properties of benzyl N-[(4-methyl-1,3-oxazol-5-yl)methyl]carbamate?
benzyl N-[(4-methyl-1,3-oxazol-5-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-[(4-methyl-1,3-oxazol-5-yl)methyl]carbamate is sourced from PubChem (CID 23532304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).