5-cyclohexa-1,3-dien-1-yl-4-phenyl-2-piperidin-4-yl-1,3-oxazole

C20H22N2O — CID 163953915

IUPAC5-cyclohexa-1,3-dien-1-yl-4-phenyl-2-piperidin-4-yl-1,3-oxazole
SMILESC1=CCCC(c2oc(C3CCNCC3)nc2-c2ccccc2)=C1
InChIInChI=1S/C20H22N2O/c1-3-7-15(8-4-1)18-19(16-9-5-2-6-10-16)23-20(22-18)17-11-13-21-14-12-17/h1-5,7-9,17,21H,6,10-14H2
InChIKeySBRYKFCFWKSACL-UHFFFAOYSA-N
MW306.41 g/mol
LogP4.54
Rot. Bonds3

About 5-cyclohexa-1,3-dien-1-yl-4-phenyl-2-piperidin-4-yl-1,3-oxazole

5-cyclohexa-1,3-dien-1-yl-4-phenyl-2-piperidin-4-yl-1,3-oxazole (PubChem CID 163953915) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is 5-cyclohexa-1,3-dien-1-yl-4-phenyl-2-piperidin-4-yl-1,3-oxazole.

Molecular Properties

Compound Name5-cyclohexa-1,3-dien-1-yl-4-phenyl-2-piperidin-4-yl-1,3-oxazole
PubChem CID163953915
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC Name5-cyclohexa-1,3-dien-1-yl-4-phenyl-2-piperidin-4-yl-1,3-oxazole
SMILESC1=CCCC(c2oc(C3CCNCC3)nc2-c2ccccc2)=C1
InChIInChI=1S/C20H22N2O/c1-3-7-15(8-4-1)18-19(16-9-5-2-6-10-16)23-20(22-18)17-11-13-21-14-12-17/h1-5,7-9,17,21H,6,10-14H2
InChIKeySBRYKFCFWKSACL-UHFFFAOYSA-N
XLogP4.54
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Oxazole, 2-methyl-4,5-diphenyl-
CID 139703
N-{2-[ethyl(phenyl)amino]ethyl}-1-{[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}piperidine-4-carboxamide
CID 3238586
1-[[2-(4-ethylphenyl)-5-methyl-4-oxazolyl]methyl]-N-[(2-methoxyphenyl)methyl]-4-piperidinecarboxamide
CID 3236520
1-{[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl}-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide
CID 3237063
N-[3-(3,5-dimethyl-1-piperidinyl)propyl]-1-[[5-methyl-2-(2-methylphenyl)-4-oxazolyl]methyl]-4-piperidinecarboxamide
CID 3244725
1-{[5-Methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl}-n-[3-(3-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide
CID 20859848
(3S)-1-butyl-3-(cyclohexylmethyl)-9-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1,4,9-triazaspiro[5.5]undecane-2,5-dione;hydrochloride
CID 21064337
N-[2-(dipropylamino)ethyl]-1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide
CID 60182361
1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-N-[3-(4-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide
CID 66553035
1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide
CID 66553041
N-[3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propyl]-1-[[2-(2-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide
CID 70789636
N-[3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propyl]-1-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide
CID 70789637

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexa-1,3-dien-1-yl-4-phenyl-2-piperidin-4-yl-1,3-oxazole?
The IUPAC name of 5-cyclohexa-1,3-dien-1-yl-4-phenyl-2-piperidin-4-yl-1,3-oxazole (CID 163953915) is 5-cyclohexa-1,3-dien-1-yl-4-phenyl-2-piperidin-4-yl-1,3-oxazole.
What is the SMILES notation for 5-cyclohexa-1,3-dien-1-yl-4-phenyl-2-piperidin-4-yl-1,3-oxazole?
The canonical SMILES for 5-cyclohexa-1,3-dien-1-yl-4-phenyl-2-piperidin-4-yl-1,3-oxazole is C1=CCCC(c2oc(C3CCNCC3)nc2-c2ccccc2)=C1.
What is the InChIKey of 5-cyclohexa-1,3-dien-1-yl-4-phenyl-2-piperidin-4-yl-1,3-oxazole?
The InChIKey is SBRYKFCFWKSACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O/c1-3-7-15(8-4-1)18-19(16-9-5-2-6-10-16)23-20(22-18)17-11-13-21-14-12-17/h1-5,7-9,17,21H,6,10-14H2.
What are the key properties of 5-cyclohexa-1,3-dien-1-yl-4-phenyl-2-piperidin-4-yl-1,3-oxazole?
5-cyclohexa-1,3-dien-1-yl-4-phenyl-2-piperidin-4-yl-1,3-oxazole has a molecular weight of 306.41 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexa-1,3-dien-1-yl-4-phenyl-2-piperidin-4-yl-1,3-oxazole is sourced from PubChem (CID 163953915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).