6-(cyclohexanecarbonyl)-3-propyl-1,3-benzoxazol-2-one

C17H21NO3 — CID 62299889

IUPAC6-(cyclohexanecarbonyl)-3-propyl-1,3-benzoxazol-2-one
SMILESCCCn1c(=O)oc2cc(C(=O)C3CCCCC3)ccc21
InChIInChI=1S/C17H21NO3/c1-2-10-18-14-9-8-13(11-15(14)21-17(18)20)16(19)12-6-4-3-5-7-12/h8-9,11-12H,2-7,10H2,1H3
InChIKeyGVRUYNHXMYUHAP-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.77
Rot. Bonds4

About 6-(cyclohexanecarbonyl)-3-propyl-1,3-benzoxazol-2-one

6-(cyclohexanecarbonyl)-3-propyl-1,3-benzoxazol-2-one (PubChem CID 62299889) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 6-(cyclohexanecarbonyl)-3-propyl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-(cyclohexanecarbonyl)-3-propyl-1,3-benzoxazol-2-one
PubChem CID62299889
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name6-(cyclohexanecarbonyl)-3-propyl-1,3-benzoxazol-2-one
SMILESCCCn1c(=O)oc2cc(C(=O)C3CCCCC3)ccc21
InChIInChI=1S/C17H21NO3/c1-2-10-18-14-9-8-13(11-15(14)21-17(18)20)16(19)12-6-4-3-5-7-12/h8-9,11-12H,2-7,10H2,1H3
InChIKeyGVRUYNHXMYUHAP-UHFFFAOYSA-N
XLogP3.77
TPSA52.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(cyclohexanecarbonyl)-3-methyl-1,3-benzoxazol-2-one
CID 11184510
3-ethyl-6-(piperidine-3-carbonyl)-1,3-benzoxazol-2-one
CID 64815332
6-(2-chloropropanoyl)-3-propyl-1,3-benzoxazol-2-one
CID 62299172
6-(3-methylpentanoyl)-3-propyl-1,3-benzoxazol-2-one
CID 114874044
6-(2-cyclopentyl-1-hydroxyethyl)-3-propyl-1,3-benzoxazol-2-one
CID 62299898
6-[bromo(cyclopentyl)methyl]-3-propyl-1,3-benzoxazol-2-one
CID 63444405
3-nonyl-2-oxo-1,3-benzoxazole-6-carboxylic acid
CID 82062882
6-acetyl-3-[4-(4-cyclohexylpiperazin-1-yl)butyl]-1,3-benzoxazol-2-one
CID 59630044
6-[1-hydroxy-2-(oxolan-2-yl)ethyl]-3-propyl-1,3-benzoxazol-2-one
CID 65157944
3-propyl-6-sulfanyl-1,3-benzoxazol-2-one
CID 62299003
6-iodo-3-propyl-1,3-benzoxazol-2-one
CID 79787233
6-(1-chloroethyl)-3-propyl-1,3-benzoxazol-2-one
CID 62300248

Frequently Asked Questions

What is the IUPAC name of 6-(cyclohexanecarbonyl)-3-propyl-1,3-benzoxazol-2-one?
The IUPAC name of 6-(cyclohexanecarbonyl)-3-propyl-1,3-benzoxazol-2-one (CID 62299889) is 6-(cyclohexanecarbonyl)-3-propyl-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-(cyclohexanecarbonyl)-3-propyl-1,3-benzoxazol-2-one?
The canonical SMILES for 6-(cyclohexanecarbonyl)-3-propyl-1,3-benzoxazol-2-one is CCCn1c(=O)oc2cc(C(=O)C3CCCCC3)ccc21.
What is the InChIKey of 6-(cyclohexanecarbonyl)-3-propyl-1,3-benzoxazol-2-one?
The InChIKey is GVRUYNHXMYUHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-2-10-18-14-9-8-13(11-15(14)21-17(18)20)16(19)12-6-4-3-5-7-12/h8-9,11-12H,2-7,10H2,1H3.
What are the key properties of 6-(cyclohexanecarbonyl)-3-propyl-1,3-benzoxazol-2-one?
6-(cyclohexanecarbonyl)-3-propyl-1,3-benzoxazol-2-one has a molecular weight of 287.36 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclohexanecarbonyl)-3-propyl-1,3-benzoxazol-2-one is sourced from PubChem (CID 62299889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).