N-butyl-N-methyl-1-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl]piperidine-4-carboxamide

C24H33N3O3 — CID 55950149

IUPACN-butyl-N-methyl-1-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl]piperidine-4-carboxamide
SMILESCCCCN(C)C(=O)C1CCN(C(=O)CCc2ncc(-c3ccc(C)cc3)o2)CC1
InChIInChI=1S/C24H33N3O3/c1-4-5-14-26(3)24(29)20-12-15-27(16-13-20)23(28)11-10-22-25-17-21(30-22)19-8-6-18(2)7-9-19/h6-9,17,20H,4-5,10-16H2,1-3H3
InChIKeyIZQBCXUINHOFMQ-UHFFFAOYSA-N
MW411.55 g/mol
LogP4.08
Rot. Bonds8

About N-butyl-N-methyl-1-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl]piperidine-4-carboxamide

N-butyl-N-methyl-1-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl]piperidine-4-carboxamide (PubChem CID 55950149) has the molecular formula C24H33N3O3 and a molecular weight of 411.55 g/mol. Its IUPAC name is N-butyl-N-methyl-1-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-N-methyl-1-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl]piperidine-4-carboxamide
PubChem CID55950149
Molecular FormulaC24H33N3O3
Molecular Weight411.55 g/mol
Exact Mass411.25
IUPAC NameN-butyl-N-methyl-1-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl]piperidine-4-carboxamide
SMILESCCCCN(C)C(=O)C1CCN(C(=O)CCc2ncc(-c3ccc(C)cc3)o2)CC1
InChIInChI=1S/C24H33N3O3/c1-4-5-14-26(3)24(29)20-12-15-27(16-13-20)23(28)11-10-22-25-17-21(30-22)19-8-6-18(2)7-9-19/h6-9,17,20H,4-5,10-16H2,1-3H3
InChIKeyIZQBCXUINHOFMQ-UHFFFAOYSA-N
XLogP4.08
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one
CID 38491702
2-[1-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl]piperidin-4-yl]acetic acid
CID 119178646
1-[3-(aminomethyl)pyrrolidin-1-yl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propan-1-one
CID 119483167
N-butyl-N-methyl-1-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanoyl]piperidine-4-carboxamide
CID 55950279
3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]propan-1-one
CID 51304858
1-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]-N-methylpiperidine-4-carboxamide
CID 30888753
1-(1,4-diazepan-1-yl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propan-1-one
CID 119414024
4-[3-[4-[butyl(methyl)carbamoyl]piperidin-1-yl]-3-oxopropyl]benzoic acid
CID 119181832
(3R)-1-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]-N-(2-methoxyethyl)-N-methylpiperidine-3-carboxamide
CID 95327518
1-[3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]propanoyl]-N-methylpiperidine-4-carboxamide
CID 30901863
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 94556875
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 46434985

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-1-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl]piperidine-4-carboxamide?
The IUPAC name of N-butyl-N-methyl-1-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl]piperidine-4-carboxamide (CID 55950149) is N-butyl-N-methyl-1-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl]piperidine-4-carboxamide.
What is the SMILES notation for N-butyl-N-methyl-1-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl]piperidine-4-carboxamide?
The canonical SMILES for N-butyl-N-methyl-1-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl]piperidine-4-carboxamide is CCCCN(C)C(=O)C1CCN(C(=O)CCc2ncc(-c3ccc(C)cc3)o2)CC1.
What is the InChIKey of N-butyl-N-methyl-1-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl]piperidine-4-carboxamide?
The InChIKey is IZQBCXUINHOFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O3/c1-4-5-14-26(3)24(29)20-12-15-27(16-13-20)23(28)11-10-22-25-17-21(30-22)19-8-6-18(2)7-9-19/h6-9,17,20H,4-5,10-16H2,1-3H3.
What are the key properties of N-butyl-N-methyl-1-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl]piperidine-4-carboxamide?
N-butyl-N-methyl-1-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl]piperidine-4-carboxamide has a molecular weight of 411.55 g/mol, XLogP of 4.08, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-1-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl]piperidine-4-carboxamide is sourced from PubChem (CID 55950149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).