1-[3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]propanoyl]-N-methylpiperidine-4-carboxamide

C21H27N3O3 — CID 30901863

IUPAC1-[3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]propanoyl]-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(C(=O)CCc2ncc(-c3ccc(C)c(C)c3)o2)CC1
InChIInChI=1S/C21H27N3O3/c1-14-4-5-17(12-15(14)2)18-13-23-19(27-18)6-7-20(25)24-10-8-16(9-11-24)21(26)22-3/h4-5,12-13,16H,6-11H2,1-3H3,(H,22,26)
InChIKeyRRKKIAXPRDYMCR-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.88
Rot. Bonds5

About 1-[3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]propanoyl]-N-methylpiperidine-4-carboxamide

1-[3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]propanoyl]-N-methylpiperidine-4-carboxamide (PubChem CID 30901863) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is 1-[3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]propanoyl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]propanoyl]-N-methylpiperidine-4-carboxamide
PubChem CID30901863
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name1-[3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]propanoyl]-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(C(=O)CCc2ncc(-c3ccc(C)c(C)c3)o2)CC1
InChIInChI=1S/C21H27N3O3/c1-14-4-5-17(12-15(14)2)18-13-23-19(27-18)6-7-20(25)24-10-8-16(9-11-24)21(26)22-3/h4-5,12-13,16H,6-11H2,1-3H3,(H,22,26)
InChIKeyRRKKIAXPRDYMCR-UHFFFAOYSA-N
XLogP2.88
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]-N-methylpiperidine-4-carboxamide
CID 30888753
1-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 55519464
3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-1-one
CID 16585545
N-(5-methyl-1,2-oxazol-3-yl)-1-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]piperidine-4-carboxamide
CID 55519665
3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one
CID 38491702
1-[4-(methylamino)piperidin-1-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propan-1-one;dihydrochloride
CID 119560940
2-[1-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl]piperidin-4-yl]acetic acid
CID 119178646
N-butyl-N-methyl-1-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl]piperidine-4-carboxamide
CID 55950149
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 94556875
1-[3-(aminomethyl)pyrrolidin-1-yl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propan-1-one
CID 119483167
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-1-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one
CID 119539972
3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)propanamide
CID 41399574

Frequently Asked Questions

What is the IUPAC name of 1-[3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]propanoyl]-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-[3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]propanoyl]-N-methylpiperidine-4-carboxamide (CID 30901863) is 1-[3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]propanoyl]-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]propanoyl]-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-[3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]propanoyl]-N-methylpiperidine-4-carboxamide is CNC(=O)C1CCN(C(=O)CCc2ncc(-c3ccc(C)c(C)c3)o2)CC1.
What is the InChIKey of 1-[3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]propanoyl]-N-methylpiperidine-4-carboxamide?
The InChIKey is RRKKIAXPRDYMCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-14-4-5-17(12-15(14)2)18-13-23-19(27-18)6-7-20(25)24-10-8-16(9-11-24)21(26)22-3/h4-5,12-13,16H,6-11H2,1-3H3,(H,22,26).
What are the key properties of 1-[3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]propanoyl]-N-methylpiperidine-4-carboxamide?
1-[3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]propanoyl]-N-methylpiperidine-4-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]propanoyl]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 30901863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).