4-butyl-N-[(5-naphthalen-2-yl-1,2-oxazol-3-yl)methyl]cyclohexane-1-carboxamide

C25H30N2O2 — CID 16867353

IUPAC4-butyl-N-[(5-naphthalen-2-yl-1,2-oxazol-3-yl)methyl]cyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)NCc2cc(-c3ccc4ccccc4c3)on2)CC1
InChIInChI=1S/C25H30N2O2/c1-2-3-6-18-9-11-20(12-10-18)25(28)26-17-23-16-24(29-27-23)22-14-13-19-7-4-5-8-21(19)15-22/h4-5,7-8,13-16,18,20H,2-3,6,9-12,17H2,1H3,(H,26,28)
InChIKeyNLGYGJUNLCEPCC-UHFFFAOYSA-N
MW390.53 g/mol
LogP6.11
Rot. Bonds7

About 4-butyl-N-[(5-naphthalen-2-yl-1,2-oxazol-3-yl)methyl]cyclohexane-1-carboxamide

4-butyl-N-[(5-naphthalen-2-yl-1,2-oxazol-3-yl)methyl]cyclohexane-1-carboxamide (PubChem CID 16867353) has the molecular formula C25H30N2O2 and a molecular weight of 390.53 g/mol. Its IUPAC name is 4-butyl-N-[(5-naphthalen-2-yl-1,2-oxazol-3-yl)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-butyl-N-[(5-naphthalen-2-yl-1,2-oxazol-3-yl)methyl]cyclohexane-1-carboxamide
PubChem CID16867353
Molecular FormulaC25H30N2O2
Molecular Weight390.53 g/mol
Exact Mass390.23
IUPAC Name4-butyl-N-[(5-naphthalen-2-yl-1,2-oxazol-3-yl)methyl]cyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)NCc2cc(-c3ccc4ccccc4c3)on2)CC1
InChIInChI=1S/C25H30N2O2/c1-2-3-6-18-9-11-20(12-10-18)25(28)26-17-23-16-24(29-27-23)22-14-13-19-7-4-5-8-21(19)15-22/h4-5,7-8,13-16,18,20H,2-3,6,9-12,17H2,1H3,(H,26,28)
InChIKeyNLGYGJUNLCEPCC-UHFFFAOYSA-N
XLogP6.11
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.53
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-butyl-N-[(5-naphthalen-2-yl-1,2-oxazol-3-yl)methyl]cyclohexane-1-carboxamide with MolForge

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Related Compounds

4-butyl-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]cyclohexane-1-carboxamide
CID 30607957
4-tert-butyl-N-[(5-naphthalen-2-yl-1,2-oxazol-3-yl)methyl]benzamide
CID 16867364
N-[[5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl]cyclopropanecarboxamide
CID 30608149
N-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl]cyclopropanecarboxamide
CID 27370128
1-(3-methoxyphenyl)-N-[(5-naphthalen-2-yl-1,2-oxazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 16867459
N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]cyclohexanecarboxamide
CID 16866590
N-[(5-naphthalen-2-yl-1,2-oxazol-3-yl)methyl]-2-phenoxypropanamide
CID 16867418
N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]cyclopentanecarboxamide
CID 16867224
N-[[5-(2-fluorophenyl)-1,2-oxazol-3-yl]methyl]cyclopropanecarboxamide
CID 27370057
3,4,5-trimethoxy-N-[(5-naphthalen-2-yl-1,2-oxazol-3-yl)methyl]benzamide
CID 16867378
4-butyl-N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]cyclohexane-1-carboxamide
CID 35574129
2-[[(4-butylcyclohexanecarbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119244970

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-[(5-naphthalen-2-yl-1,2-oxazol-3-yl)methyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-butyl-N-[(5-naphthalen-2-yl-1,2-oxazol-3-yl)methyl]cyclohexane-1-carboxamide (CID 16867353) is 4-butyl-N-[(5-naphthalen-2-yl-1,2-oxazol-3-yl)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-butyl-N-[(5-naphthalen-2-yl-1,2-oxazol-3-yl)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-butyl-N-[(5-naphthalen-2-yl-1,2-oxazol-3-yl)methyl]cyclohexane-1-carboxamide is CCCCC1CCC(C(=O)NCc2cc(-c3ccc4ccccc4c3)on2)CC1.
What is the InChIKey of 4-butyl-N-[(5-naphthalen-2-yl-1,2-oxazol-3-yl)methyl]cyclohexane-1-carboxamide?
The InChIKey is NLGYGJUNLCEPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O2/c1-2-3-6-18-9-11-20(12-10-18)25(28)26-17-23-16-24(29-27-23)22-14-13-19-7-4-5-8-21(19)15-22/h4-5,7-8,13-16,18,20H,2-3,6,9-12,17H2,1H3,(H,26,28).
What are the key properties of 4-butyl-N-[(5-naphthalen-2-yl-1,2-oxazol-3-yl)methyl]cyclohexane-1-carboxamide?
4-butyl-N-[(5-naphthalen-2-yl-1,2-oxazol-3-yl)methyl]cyclohexane-1-carboxamide has a molecular weight of 390.53 g/mol, XLogP of 6.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-[(5-naphthalen-2-yl-1,2-oxazol-3-yl)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 16867353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).