1-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-3-phenylpropan-1-one

C23H29N3O3 — CID 71837765

IUPAC1-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-3-phenylpropan-1-one
SMILESCc1oc(C2CCN(C(=O)CCc3ccccc3)CC2)nc1C(=O)N1CCCC1
InChIInChI=1S/C23H29N3O3/c1-17-21(23(28)26-13-5-6-14-26)24-22(29-17)19-11-15-25(16-12-19)20(27)10-9-18-7-3-2-4-8-18/h2-4,7-8,19H,5-6,9-16H2,1H3
InChIKeyIEGDSKFQHRYZTC-UHFFFAOYSA-N
MW395.50 g/mol
LogP3.56
Rot. Bonds5

About 1-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-3-phenylpropan-1-one

1-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-3-phenylpropan-1-one (PubChem CID 71837765) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is 1-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-3-phenylpropan-1-one
PubChem CID71837765
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name1-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-3-phenylpropan-1-one
SMILESCc1oc(C2CCN(C(=O)CCc3ccccc3)CC2)nc1C(=O)N1CCCC1
InChIInChI=1S/C23H29N3O3/c1-17-21(23(28)26-13-5-6-14-26)24-22(29-17)19-11-15-25(16-12-19)20(27)10-9-18-7-3-2-4-8-18/h2-4,7-8,19H,5-6,9-16H2,1H3
InChIKeyIEGDSKFQHRYZTC-UHFFFAOYSA-N
XLogP3.56
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-3-phenylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-methoxyphenyl)-1-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]propan-1-one
CID 71837780
[5-methyl-2-[1-(2-phenylethylsulfonyl)piperidin-4-yl]-1,3-oxazol-4-yl]-piperidin-1-ylmethanone
CID 53168521
2-cyclopentyl-1-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]ethanone
CID 71837810
2-[1-[3-(4-methoxyphenyl)propanoyl]piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide
CID 53168354
(3,5-dimethylphenyl)-[4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone
CID 71837745
(4-ethoxyphenyl)-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone
CID 71837791
(2,4-dimethylphenyl)-[4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone
CID 71837736
2-(3-fluorophenyl)-1-[4-[5-methyl-4-(thiomorpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]ethanone
CID 53168435
(2-chloro-5-fluorophenyl)-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone
CID 53168372
1-[(3S)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 95829780
1-(3-phenylpropanoyl)piperidine-4-carboxylate
CID 6930824
2-cyclobutyl-N,5-dimethyl-N-(2-phenylethyl)-1,3-oxazole-4-carboxamide
CID 53195326

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-3-phenylpropan-1-one?
The IUPAC name of 1-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-3-phenylpropan-1-one (CID 71837765) is 1-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-3-phenylpropan-1-one.
What is the SMILES notation for 1-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-3-phenylpropan-1-one?
The canonical SMILES for 1-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-3-phenylpropan-1-one is Cc1oc(C2CCN(C(=O)CCc3ccccc3)CC2)nc1C(=O)N1CCCC1.
What is the InChIKey of 1-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-3-phenylpropan-1-one?
The InChIKey is IEGDSKFQHRYZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-17-21(23(28)26-13-5-6-14-26)24-22(29-17)19-11-15-25(16-12-19)20(27)10-9-18-7-3-2-4-8-18/h2-4,7-8,19H,5-6,9-16H2,1H3.
What are the key properties of 1-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-3-phenylpropan-1-one?
1-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-3-phenylpropan-1-one has a molecular weight of 395.50 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 71837765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).