(4-cyano-3-methyl-1,2-oxazol-5-yl) N-phenylcarbamate

C12H9N3O3 — CID 67363494

IUPAC(4-cyano-3-methyl-1,2-oxazol-5-yl) N-phenylcarbamate
SMILESCc1noc(OC(=O)Nc2ccccc2)c1C#N
InChIInChI=1S/C12H9N3O3/c1-8-10(7-13)11(18-15-8)17-12(16)14-9-5-3-2-4-6-9/h2-6H,1H3,(H,14,16)
InChIKeyRPDBQPWKPWDMME-UHFFFAOYSA-N
MW243.22 g/mol
LogP2.47
Rot. Bonds2

About (4-cyano-3-methyl-1,2-oxazol-5-yl) N-phenylcarbamate

(4-cyano-3-methyl-1,2-oxazol-5-yl) N-phenylcarbamate (PubChem CID 67363494) has the molecular formula C12H9N3O3 and a molecular weight of 243.22 g/mol. Its IUPAC name is (4-cyano-3-methyl-1,2-oxazol-5-yl) N-phenylcarbamate.

Molecular Properties

Compound Name(4-cyano-3-methyl-1,2-oxazol-5-yl) N-phenylcarbamate
PubChem CID67363494
Molecular FormulaC12H9N3O3
Molecular Weight243.22 g/mol
Exact Mass243.06
IUPAC Name(4-cyano-3-methyl-1,2-oxazol-5-yl) N-phenylcarbamate
SMILESCc1noc(OC(=O)Nc2ccccc2)c1C#N
InChIInChI=1S/C12H9N3O3/c1-8-10(7-13)11(18-15-8)17-12(16)14-9-5-3-2-4-6-9/h2-6H,1H3,(H,14,16)
InChIKeyRPDBQPWKPWDMME-UHFFFAOYSA-N
XLogP2.47
TPSA88.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-methyl-1,2-oxazol-5-yl) N-phenylcarbamate
CID 91512945
2-chloro-N-(4-cyano-3-methyl-1,2-oxazol-5-yl)benzamide
CID 4318316
2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-phenylacetamide
CID 707628
(4-acetamidophenyl) N-phenylcarbamate
CID 58706000
pyridin-2-yl N-phenylcarbamate
CID 4689975
(3,5-dimethoxyphenyl) N-phenylcarbamate
CID 23281948
3-methyl-N-[4-(phenylcarbamoylamino)phenyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 30780069
CID 68594224
CID 68594224
phenyl N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]carbamate
CID 110418385
phenyl N-(5-methyl-1,2-oxazol-3-yl)carbamate
CID 4519264
2-[[2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]acetyl]amino]-N-phenylbenzamide
CID 24597687
4-trimethylsilylbut-3-yn-2-yl N-phenylcarbamate
CID 10061224

Frequently Asked Questions

What is the IUPAC name of (4-cyano-3-methyl-1,2-oxazol-5-yl) N-phenylcarbamate?
The IUPAC name of (4-cyano-3-methyl-1,2-oxazol-5-yl) N-phenylcarbamate (CID 67363494) is (4-cyano-3-methyl-1,2-oxazol-5-yl) N-phenylcarbamate.
What is the SMILES notation for (4-cyano-3-methyl-1,2-oxazol-5-yl) N-phenylcarbamate?
The canonical SMILES for (4-cyano-3-methyl-1,2-oxazol-5-yl) N-phenylcarbamate is Cc1noc(OC(=O)Nc2ccccc2)c1C#N.
What is the InChIKey of (4-cyano-3-methyl-1,2-oxazol-5-yl) N-phenylcarbamate?
The InChIKey is RPDBQPWKPWDMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O3/c1-8-10(7-13)11(18-15-8)17-12(16)14-9-5-3-2-4-6-9/h2-6H,1H3,(H,14,16).
What are the key properties of (4-cyano-3-methyl-1,2-oxazol-5-yl) N-phenylcarbamate?
(4-cyano-3-methyl-1,2-oxazol-5-yl) N-phenylcarbamate has a molecular weight of 243.22 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyano-3-methyl-1,2-oxazol-5-yl) N-phenylcarbamate is sourced from PubChem (CID 67363494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).