3-(2-oxo-1,3-benzoxazol-3-yl)-N-(3,3,5-trimethylcyclohexyl)propanamide

C19H26N2O3 — CID 3163792

IUPAC3-(2-oxo-1,3-benzoxazol-3-yl)-N-(3,3,5-trimethylcyclohexyl)propanamide
SMILESCC1CC(NC(=O)CCn2c(=O)oc3ccccc32)CC(C)(C)C1
InChIInChI=1S/C19H26N2O3/c1-13-10-14(12-19(2,3)11-13)20-17(22)8-9-21-15-6-4-5-7-16(15)24-18(21)23/h4-7,13-14H,8-12H2,1-3H3,(H,20,22)
InChIKeyXCLQOXUKHHODTF-UHFFFAOYSA-N
MW330.43 g/mol
LogP3.32
Rot. Bonds4

About 3-(2-oxo-1,3-benzoxazol-3-yl)-N-(3,3,5-trimethylcyclohexyl)propanamide

3-(2-oxo-1,3-benzoxazol-3-yl)-N-(3,3,5-trimethylcyclohexyl)propanamide (PubChem CID 3163792) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 3-(2-oxo-1,3-benzoxazol-3-yl)-N-(3,3,5-trimethylcyclohexyl)propanamide.

Molecular Properties

Compound Name3-(2-oxo-1,3-benzoxazol-3-yl)-N-(3,3,5-trimethylcyclohexyl)propanamide
PubChem CID3163792
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name3-(2-oxo-1,3-benzoxazol-3-yl)-N-(3,3,5-trimethylcyclohexyl)propanamide
SMILESCC1CC(NC(=O)CCn2c(=O)oc3ccccc32)CC(C)(C)C1
InChIInChI=1S/C19H26N2O3/c1-13-10-14(12-19(2,3)11-13)20-17(22)8-9-21-15-6-4-5-7-16(15)24-18(21)23/h4-7,13-14H,8-12H2,1-3H3,(H,20,22)
InChIKeyXCLQOXUKHHODTF-UHFFFAOYSA-N
XLogP3.32
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-1,3-benzoxazol-3-yl)-N-(3,3,5-trimethylcyclohexyl)propanamide?
The IUPAC name of 3-(2-oxo-1,3-benzoxazol-3-yl)-N-(3,3,5-trimethylcyclohexyl)propanamide (CID 3163792) is 3-(2-oxo-1,3-benzoxazol-3-yl)-N-(3,3,5-trimethylcyclohexyl)propanamide.
What is the SMILES notation for 3-(2-oxo-1,3-benzoxazol-3-yl)-N-(3,3,5-trimethylcyclohexyl)propanamide?
The canonical SMILES for 3-(2-oxo-1,3-benzoxazol-3-yl)-N-(3,3,5-trimethylcyclohexyl)propanamide is CC1CC(NC(=O)CCn2c(=O)oc3ccccc32)CC(C)(C)C1.
What is the InChIKey of 3-(2-oxo-1,3-benzoxazol-3-yl)-N-(3,3,5-trimethylcyclohexyl)propanamide?
The InChIKey is XCLQOXUKHHODTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-13-10-14(12-19(2,3)11-13)20-17(22)8-9-21-15-6-4-5-7-16(15)24-18(21)23/h4-7,13-14H,8-12H2,1-3H3,(H,20,22).
What are the key properties of 3-(2-oxo-1,3-benzoxazol-3-yl)-N-(3,3,5-trimethylcyclohexyl)propanamide?
3-(2-oxo-1,3-benzoxazol-3-yl)-N-(3,3,5-trimethylcyclohexyl)propanamide has a molecular weight of 330.43 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-1,3-benzoxazol-3-yl)-N-(3,3,5-trimethylcyclohexyl)propanamide is sourced from PubChem (CID 3163792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).