3-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-N-tert-butyl-5-methyl-4H-1,2-oxazole-5-carboxamide

C28H35N3O3 — CID 11669808

IUPAC3-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-N-tert-butyl-5-methyl-4H-1,2-oxazole-5-carboxamide
SMILESCC(C)(C)NC(=O)C1(C)CC(c2ccc(C(=O)N3CCC(Cc4ccccc4)CC3)cc2)=NO1
InChIInChI=1S/C28H35N3O3/c1-27(2,3)29-26(33)28(4)19-24(30-34-28)22-10-12-23(13-11-22)25(32)31-16-14-21(15-17-31)18-20-8-6-5-7-9-20/h5-13,21H,14-19H2,1-4H3,(H,29,33)
InChIKeySFCHXKBNXBGGSH-UHFFFAOYSA-N
MW461.61 g/mol
LogP4.58
Rot. Bonds5

About 3-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-N-tert-butyl-5-methyl-4H-1,2-oxazole-5-carboxamide

3-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-N-tert-butyl-5-methyl-4H-1,2-oxazole-5-carboxamide (PubChem CID 11669808) has the molecular formula C28H35N3O3 and a molecular weight of 461.61 g/mol. Its IUPAC name is 3-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-N-tert-butyl-5-methyl-4H-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-N-tert-butyl-5-methyl-4H-1,2-oxazole-5-carboxamide
PubChem CID11669808
Molecular FormulaC28H35N3O3
Molecular Weight461.61 g/mol
Exact Mass461.27
IUPAC Name3-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-N-tert-butyl-5-methyl-4H-1,2-oxazole-5-carboxamide
SMILESCC(C)(C)NC(=O)C1(C)CC(c2ccc(C(=O)N3CCC(Cc4ccccc4)CC3)cc2)=NO1
InChIInChI=1S/C28H35N3O3/c1-27(2,3)29-26(33)28(4)19-24(30-34-28)22-10-12-23(13-11-22)25(32)31-16-14-21(15-17-31)18-20-8-6-5-7-9-20/h5-13,21H,14-19H2,1-4H3,(H,29,33)
InChIKeySFCHXKBNXBGGSH-UHFFFAOYSA-N
XLogP4.58
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.61
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-5-methyl-4H-1,2-oxazole-5-carboxylic acid
CID 11596612
3-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-N-cyclohexyl-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 11598301
3-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-5-methyl-N-(3-morpholin-4-ylpropyl)-4H-1,2-oxazole-5-carboxamide
CID 143180178
N-benzyl-3-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-N-ethyl-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 11670897
(4-benzylpiperidin-1-yl)-[4-[5-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-5-methyl-4H-1,2-oxazol-3-yl]phenyl]methanone
CID 11691660
(4-benzylpiperidin-1-yl)-phenylmethanone
CID 796596
3-[3-(4-benzylpiperidine-1-carbonyl)-2-methoxyphenyl]-N-cyclopropyl-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 11511250
(4-benzylpiperidin-1-yl)-[1-(4-tert-butylbenzoyl)piperidin-4-yl]methanone
CID 3411231
(4-benzylpiperidin-1-yl)-(4-methylsulfanylphenyl)methanone
CID 78791820
(4-benzylpiperidin-1-yl)-[4-(3-hydroxyoxetan-3-yl)phenyl]methanone
CID 164898776
(4-benzylpiperidin-1-yl)-(4-nitrophenyl)methanone
CID 814715
3-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-5-methyl-N-prop-2-ynyl-2H-1,2-oxazole-5-carboxamide
CID 91578944

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-N-tert-butyl-5-methyl-4H-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-N-tert-butyl-5-methyl-4H-1,2-oxazole-5-carboxamide (CID 11669808) is 3-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-N-tert-butyl-5-methyl-4H-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-N-tert-butyl-5-methyl-4H-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-N-tert-butyl-5-methyl-4H-1,2-oxazole-5-carboxamide is CC(C)(C)NC(=O)C1(C)CC(c2ccc(C(=O)N3CCC(Cc4ccccc4)CC3)cc2)=NO1.
What is the InChIKey of 3-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-N-tert-butyl-5-methyl-4H-1,2-oxazole-5-carboxamide?
The InChIKey is SFCHXKBNXBGGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N3O3/c1-27(2,3)29-26(33)28(4)19-24(30-34-28)22-10-12-23(13-11-22)25(32)31-16-14-21(15-17-31)18-20-8-6-5-7-9-20/h5-13,21H,14-19H2,1-4H3,(H,29,33).
What are the key properties of 3-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-N-tert-butyl-5-methyl-4H-1,2-oxazole-5-carboxamide?
3-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-N-tert-butyl-5-methyl-4H-1,2-oxazole-5-carboxamide has a molecular weight of 461.61 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-N-tert-butyl-5-methyl-4H-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 11669808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).