(3-ethyl-5-phenyl-1,2-oxazol-4-yl)carbamic acid

C12H12N2O3 — CID 68885744

IUPAC(3-ethyl-5-phenyl-1,2-oxazol-4-yl)carbamic acid
SMILESCCc1noc(-c2ccccc2)c1NC(=O)O
InChIInChI=1S/C12H12N2O3/c1-2-9-10(13-12(15)16)11(17-14-9)8-6-4-3-5-7-8/h3-7,13H,2H2,1H3,(H,15,16)
InChIKeyHZPKZTBAXCVKLJ-UHFFFAOYSA-N
MW232.24 g/mol
LogP2.99
Rot. Bonds3

About (3-ethyl-5-phenyl-1,2-oxazol-4-yl)carbamic acid

(3-ethyl-5-phenyl-1,2-oxazol-4-yl)carbamic acid (PubChem CID 68885744) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is (3-ethyl-5-phenyl-1,2-oxazol-4-yl)carbamic acid.

Molecular Properties

Compound Name(3-ethyl-5-phenyl-1,2-oxazol-4-yl)carbamic acid
PubChem CID68885744
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name(3-ethyl-5-phenyl-1,2-oxazol-4-yl)carbamic acid
SMILESCCc1noc(-c2ccccc2)c1NC(=O)O
InChIInChI=1S/C12H12N2O3/c1-2-9-10(13-12(15)16)11(17-14-9)8-6-4-3-5-7-8/h3-7,13H,2H2,1H3,(H,15,16)
InChIKeyHZPKZTBAXCVKLJ-UHFFFAOYSA-N
XLogP2.99
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[5-(4-bromophenyl)-3-ethyl-1,2-oxazol-4-yl]carbamate
CID 66577775
1-[4-[4-[3-ethyl-4-(1-phenylethoxycarbonylamino)-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 66660644
N'-(3-methyl-5-phenyl-1,2-oxazol-4-yl)oxamide
CID 119043716
[3-methyl-5-[4-(2-phenylethylsulfanylmethyl)phenyl]-1,2-oxazol-4-yl]carbamic acid
CID 68883689
[5-[4-(methoxymethyl)phenyl]-3-methyl-1,2-oxazol-4-yl]carbamic acid
CID 68885549
[5-[3-(ethoxymethyl)phenyl]-3-methyl-1,2-oxazol-4-yl]carbamic acid
CID 68884953
[3-methyl-5-[4-[(pyridin-2-ylmethylamino)methyl]phenyl]-1,2-oxazol-4-yl]carbamic acid
CID 68884690
2-[[4-[4-[1-(2-chlorophenyl)ethoxycarbonylamino]-3-ethyl-1,2-oxazol-5-yl]phenyl]methylsulfanyl]acetic acid
CID 22279566
3-methyl-N-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]-5-phenyl-1,2-oxazole-4-carboxamide
CID 166330669
1-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-3-(2-hydroxy-2-phenylpropyl)urea
CID 109397223
1-[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]-3-(2,2,2-trifluoroethyl)urea
CID 141295939
ethyl 3-(methylcarbamoyl)-5-phenyl-1,2-oxazole-4-carboxylate
CID 57333911

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-5-phenyl-1,2-oxazol-4-yl)carbamic acid?
The IUPAC name of (3-ethyl-5-phenyl-1,2-oxazol-4-yl)carbamic acid (CID 68885744) is (3-ethyl-5-phenyl-1,2-oxazol-4-yl)carbamic acid.
What is the SMILES notation for (3-ethyl-5-phenyl-1,2-oxazol-4-yl)carbamic acid?
The canonical SMILES for (3-ethyl-5-phenyl-1,2-oxazol-4-yl)carbamic acid is CCc1noc(-c2ccccc2)c1NC(=O)O.
What is the InChIKey of (3-ethyl-5-phenyl-1,2-oxazol-4-yl)carbamic acid?
The InChIKey is HZPKZTBAXCVKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-2-9-10(13-12(15)16)11(17-14-9)8-6-4-3-5-7-8/h3-7,13H,2H2,1H3,(H,15,16).
What are the key properties of (3-ethyl-5-phenyl-1,2-oxazol-4-yl)carbamic acid?
(3-ethyl-5-phenyl-1,2-oxazol-4-yl)carbamic acid has a molecular weight of 232.24 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-5-phenyl-1,2-oxazol-4-yl)carbamic acid is sourced from PubChem (CID 68885744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).