3-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-4,5-dimethyl-1,3-oxazol-2-one

C15H20N2O3 — CID 72926326

IUPAC3-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-4,5-dimethyl-1,3-oxazol-2-one
SMILESCc1oc(=O)n(Cc2cc(C3CCCCC3)no2)c1C
InChIInChI=1S/C15H20N2O3/c1-10-11(2)19-15(18)17(10)9-13-8-14(16-20-13)12-6-4-3-5-7-12/h8,12H,3-7,9H2,1-2H3
InChIKeyOLADEVRPOAQDCD-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.14
Rot. Bonds3

About 3-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-4,5-dimethyl-1,3-oxazol-2-one

3-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-4,5-dimethyl-1,3-oxazol-2-one (PubChem CID 72926326) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-4,5-dimethyl-1,3-oxazol-2-one.

Molecular Properties

Compound Name3-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-4,5-dimethyl-1,3-oxazol-2-one
PubChem CID72926326
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name3-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-4,5-dimethyl-1,3-oxazol-2-one
SMILESCc1oc(=O)n(Cc2cc(C3CCCCC3)no2)c1C
InChIInChI=1S/C15H20N2O3/c1-10-11(2)19-15(18)17(10)9-13-8-14(16-20-13)12-6-4-3-5-7-12/h8,12H,3-7,9H2,1-2H3
InChIKeyOLADEVRPOAQDCD-UHFFFAOYSA-N
XLogP3.14
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-4,5-dimethyl-1,3-oxazol-2-one with MolForge

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Launch Full Analysis

Related Compounds

(3S)-4-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-3-methyl-1-(2-methylpropyl)piperazin-2-one
CID 95710005
1-(3-cyclohexyl-1,2-oxazol-5-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylmethanamine
CID 91835412
2-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-4,5-dihydro-1H-2-benzazepin-3-one
CID 162638466
2-(3-cyclopentyl-1,2-oxazol-5-yl)ethanamine
CID 82408902
(6S)-4-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97137021
3-cyclohexyl-5-[[(1R,5R)-3-methylsulfonyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]-1,2-oxazole
CID 70708804
8-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-2-cyclopropyl-2,8-diazaspiro[5.5]undecan-3-one
CID 72908060
9-benzyl-1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one
CID 163317627
1-(3-cyclobutyl-1,2-oxazol-5-yl)-N-methylmethanamine
CID 83845888
[(4aS,6R)-4-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-6-yl]methanol
CID 154567630
3-cyclohexyl-5-cyclopropyl-1,2-oxazole
CID 154245938
[(3S)-1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol
CID 97151128

Frequently Asked Questions

What is the IUPAC name of 3-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-4,5-dimethyl-1,3-oxazol-2-one?
The IUPAC name of 3-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-4,5-dimethyl-1,3-oxazol-2-one (CID 72926326) is 3-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-4,5-dimethyl-1,3-oxazol-2-one.
What is the SMILES notation for 3-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-4,5-dimethyl-1,3-oxazol-2-one?
The canonical SMILES for 3-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-4,5-dimethyl-1,3-oxazol-2-one is Cc1oc(=O)n(Cc2cc(C3CCCCC3)no2)c1C.
What is the InChIKey of 3-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-4,5-dimethyl-1,3-oxazol-2-one?
The InChIKey is OLADEVRPOAQDCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10-11(2)19-15(18)17(10)9-13-8-14(16-20-13)12-6-4-3-5-7-12/h8,12H,3-7,9H2,1-2H3.
What are the key properties of 3-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-4,5-dimethyl-1,3-oxazol-2-one?
3-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-4,5-dimethyl-1,3-oxazol-2-one has a molecular weight of 276.34 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-4,5-dimethyl-1,3-oxazol-2-one is sourced from PubChem (CID 72926326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).