ethyl N-(3-methyl-4-phenyl-1,2-oxazol-5-yl)carbamate

C13H14N2O3 — CID 102517664

IUPACethyl N-(3-methyl-4-phenyl-1,2-oxazol-5-yl)carbamate
SMILESCCOC(=O)Nc1onc(C)c1-c1ccccc1
InChIInChI=1S/C13H14N2O3/c1-3-17-13(16)14-12-11(9(2)15-18-12)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3,(H,14,16)
InChIKeyOWGMUUGKKBRDKQ-UHFFFAOYSA-N
MW246.27 g/mol
LogP3.22
Rot. Bonds3

About ethyl N-(3-methyl-4-phenyl-1,2-oxazol-5-yl)carbamate

ethyl N-(3-methyl-4-phenyl-1,2-oxazol-5-yl)carbamate (PubChem CID 102517664) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is ethyl N-(3-methyl-4-phenyl-1,2-oxazol-5-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(3-methyl-4-phenyl-1,2-oxazol-5-yl)carbamate
PubChem CID102517664
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Nameethyl N-(3-methyl-4-phenyl-1,2-oxazol-5-yl)carbamate
SMILESCCOC(=O)Nc1onc(C)c1-c1ccccc1
InChIInChI=1S/C13H14N2O3/c1-3-17-13(16)14-12-11(9(2)15-18-12)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3,(H,14,16)
InChIKeyOWGMUUGKKBRDKQ-UHFFFAOYSA-N
XLogP3.22
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methyl-4-phenyl-1,2-oxazol-5-yl)acetamide
CID 14174108
ethyl 3-methyl-4-phenyl-1,2-oxazole-5-carboxylate
CID 14957307
ethyl N-(4-propan-2-yl-3-pyridin-3-yl-1,2-oxazol-5-yl)carbamate
CID 162478623
(2S)-2-amino-3-(1H-indol-3-yl)-N-(3-methyl-4-phenyl-1,2-oxazol-5-yl)propanamide;hydrochloride
CID 154914165
4-cyclopropyl-2-[[4-[3-methyl-5-(1-phenylethoxycarbonylamino)-1,2-oxazol-4-yl]benzoyl]amino]butanoic acid
CID 172724894
ethyl N-(6-phenylpyridazin-3-yl)carbamate
CID 59867445
3-cyclopropyl-2-[[5-[3-methyl-5-(1-phenylethoxycarbonylamino)-1,2-oxazol-4-yl]-2-pyridinyl]amino]propanoic acid
CID 172731645
ethyl N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]carbamate
CID 841728
2-[1-[1-[4-[3-methyl-5-(1-phenylethoxycarbonylamino)-1,2-oxazol-4-yl]phenyl]piperidin-2-yl]cyclopropyl]acetic acid
CID 172718077
ethyl 3-(4-chlorophenyl)-5-(phenoxycarbonylamino)-1,2-oxazole-4-carboxylate
CID 108742877
ethyl N-(3-phenyloxatriazol-3-ium-5-yl)carbamate
CID 10014241
ethyl N-(5-amino-4-phenyl-1,3-thiazol-2-yl)carbamate
CID 58911903

Frequently Asked Questions

What is the IUPAC name of ethyl N-(3-methyl-4-phenyl-1,2-oxazol-5-yl)carbamate?
The IUPAC name of ethyl N-(3-methyl-4-phenyl-1,2-oxazol-5-yl)carbamate (CID 102517664) is ethyl N-(3-methyl-4-phenyl-1,2-oxazol-5-yl)carbamate.
What is the SMILES notation for ethyl N-(3-methyl-4-phenyl-1,2-oxazol-5-yl)carbamate?
The canonical SMILES for ethyl N-(3-methyl-4-phenyl-1,2-oxazol-5-yl)carbamate is CCOC(=O)Nc1onc(C)c1-c1ccccc1.
What is the InChIKey of ethyl N-(3-methyl-4-phenyl-1,2-oxazol-5-yl)carbamate?
The InChIKey is OWGMUUGKKBRDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-3-17-13(16)14-12-11(9(2)15-18-12)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3,(H,14,16).
What are the key properties of ethyl N-(3-methyl-4-phenyl-1,2-oxazol-5-yl)carbamate?
ethyl N-(3-methyl-4-phenyl-1,2-oxazol-5-yl)carbamate has a molecular weight of 246.27 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(3-methyl-4-phenyl-1,2-oxazol-5-yl)carbamate is sourced from PubChem (CID 102517664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).