(2-cyclononyl-1,3-oxazol-4-yl)-phenylmethanone

C19H23NO2 — CID 138501083

IUPAC(2-cyclononyl-1,3-oxazol-4-yl)-phenylmethanone
SMILESO=C(c1ccccc1)c1coc(C2CCCCCCCC2)n1
InChIInChI=1S/C19H23NO2/c21-18(15-10-8-5-9-11-15)17-14-22-19(20-17)16-12-6-3-1-2-4-7-13-16/h5,8-11,14,16H,1-4,6-7,12-13H2
InChIKeyFOGMQPNXKZQPDK-UHFFFAOYSA-N
MW297.40 g/mol
LogP5.12
Rot. Bonds3

About (2-cyclononyl-1,3-oxazol-4-yl)-phenylmethanone

(2-cyclononyl-1,3-oxazol-4-yl)-phenylmethanone (PubChem CID 138501083) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is (2-cyclononyl-1,3-oxazol-4-yl)-phenylmethanone.

Molecular Properties

Compound Name(2-cyclononyl-1,3-oxazol-4-yl)-phenylmethanone
PubChem CID138501083
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name(2-cyclononyl-1,3-oxazol-4-yl)-phenylmethanone
SMILESO=C(c1ccccc1)c1coc(C2CCCCCCCC2)n1
InChIInChI=1S/C19H23NO2/c21-18(15-10-8-5-9-11-15)17-14-22-19(20-17)16-12-6-3-1-2-4-7-13-16/h5,8-11,14,16H,1-4,6-7,12-13H2
InChIKeyFOGMQPNXKZQPDK-UHFFFAOYSA-N
XLogP5.12
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.40
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclobutyl-1,3-oxazole-4-carboxylic acid
CID 53399655
2-cyclobutyl-N-[4-[(2-cyclobutyl-1,3-oxazole-4-carbonyl)amino]cyclohexyl]-1,3-oxazole-4-carboxamide
CID 167759305
2-(oxan-3-yl)-1,3-oxazole-4-carboxylic acid
CID 63014929
2-cyclobutyl-N-(2-oxo-1-pyridinyl)-1,3-oxazole-4-carboxamide
CID 166233624
N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-2-cyclopentyl-1,3-oxazole-4-carboxamide
CID 99785373
(2-cyclohexylphenyl)-phenylmethanone
CID 22506424
2-(oxolan-3-yl)-1,3-oxazole-4-carboxylic acid
CID 62234864
2-(1-tert-butylpiperidin-4-yl)-1,3-oxazole-4-carboxylic acid
CID 59035438
cyclohexane-1,2-dicarboxylic acid;diphenylmethanone
CID 175435053
2-[1-(1,3-dihydroisoindole-2-carbonyl)azetidin-3-yl]-1,3-oxazole-4-carboxylic acid
CID 166314361
N-(3,3-diphenylpropyl)-2-piperidin-3-yl-1,3-oxazole-4-carboxamide
CID 3846076
2-benzamido-N-cyclohexyl-1,3-oxazole-4-carboxamide
CID 90514925

Frequently Asked Questions

What is the IUPAC name of (2-cyclononyl-1,3-oxazol-4-yl)-phenylmethanone?
The IUPAC name of (2-cyclononyl-1,3-oxazol-4-yl)-phenylmethanone (CID 138501083) is (2-cyclononyl-1,3-oxazol-4-yl)-phenylmethanone.
What is the SMILES notation for (2-cyclononyl-1,3-oxazol-4-yl)-phenylmethanone?
The canonical SMILES for (2-cyclononyl-1,3-oxazol-4-yl)-phenylmethanone is O=C(c1ccccc1)c1coc(C2CCCCCCCC2)n1.
What is the InChIKey of (2-cyclononyl-1,3-oxazol-4-yl)-phenylmethanone?
The InChIKey is FOGMQPNXKZQPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c21-18(15-10-8-5-9-11-15)17-14-22-19(20-17)16-12-6-3-1-2-4-7-13-16/h5,8-11,14,16H,1-4,6-7,12-13H2.
What are the key properties of (2-cyclononyl-1,3-oxazol-4-yl)-phenylmethanone?
(2-cyclononyl-1,3-oxazol-4-yl)-phenylmethanone has a molecular weight of 297.40 g/mol, XLogP of 5.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclononyl-1,3-oxazol-4-yl)-phenylmethanone is sourced from PubChem (CID 138501083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).