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

C24H31N3O4 — CID 71837780

IUPAC3-(2-methoxyphenyl)-1-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]propan-1-one
SMILESCOc1ccccc1CCC(=O)N1CCC(c2nc(C(=O)N3CCCC3)c(C)o2)CC1
InChIInChI=1S/C24H31N3O4/c1-17-22(24(29)27-13-5-6-14-27)25-23(31-17)19-11-15-26(16-12-19)21(28)10-9-18-7-3-4-8-20(18)30-2/h3-4,7-8,19H,5-6,9-16H2,1-2H3
InChIKeyKUSGKNYJAALLAG-UHFFFAOYSA-N
MW425.53 g/mol
LogP3.57
Rot. Bonds6

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

3-(2-methoxyphenyl)-1-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]propan-1-one (PubChem CID 71837780) has the molecular formula C24H31N3O4 and a molecular weight of 425.53 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-1-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-1-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]propan-1-one
PubChem CID71837780
Molecular FormulaC24H31N3O4
Molecular Weight425.53 g/mol
Exact Mass425.23
IUPAC Name3-(2-methoxyphenyl)-1-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]propan-1-one
SMILESCOc1ccccc1CCC(=O)N1CCC(c2nc(C(=O)N3CCCC3)c(C)o2)CC1
InChIInChI=1S/C24H31N3O4/c1-17-22(24(29)27-13-5-6-14-27)25-23(31-17)19-11-15-26(16-12-19)21(28)10-9-18-7-3-4-8-20(18)30-2/h3-4,7-8,19H,5-6,9-16H2,1-2H3
InChIKeyKUSGKNYJAALLAG-UHFFFAOYSA-N
XLogP3.57
TPSA75.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-3-phenylpropan-1-one
CID 71837765
2-cyclopentyl-1-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]ethanone
CID 71837810
(4-ethoxyphenyl)-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone
CID 71837791
2-[1-[3-(4-methoxyphenyl)propanoyl]piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide
CID 53168354
[5-methyl-2-[1-(2-phenylethylsulfonyl)piperidin-4-yl]-1,3-oxazol-4-yl]-piperidin-1-ylmethanone
CID 53168521
4-ethyl-5-[1-[3-(2-methoxyphenyl)propanoyl]piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one
CID 56754576
(3,5-dimethylphenyl)-[4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone
CID 71837745
1-[4-(2-chlorobenzoyl)piperazin-1-yl]-3-(2-methoxyphenyl)propan-1-one
CID 39711237
1-[4-(1-hydroxypropyl)piperidin-1-yl]-3-(2-methoxyphenyl)propan-1-one
CID 112537622
(2-chloro-5-fluorophenyl)-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone
CID 53168372
1-[3-(2-methoxyphenyl)propanoyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 55526497
1-(1,4-diazepan-1-yl)-3-(2-methoxyphenyl)propan-1-one
CID 82090865

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-1-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(2-methoxyphenyl)-1-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]propan-1-one (CID 71837780) is 3-(2-methoxyphenyl)-1-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(2-methoxyphenyl)-1-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(2-methoxyphenyl)-1-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]propan-1-one is COc1ccccc1CCC(=O)N1CCC(c2nc(C(=O)N3CCCC3)c(C)o2)CC1.
What is the InChIKey of 3-(2-methoxyphenyl)-1-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]propan-1-one?
The InChIKey is KUSGKNYJAALLAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O4/c1-17-22(24(29)27-13-5-6-14-27)25-23(31-17)19-11-15-26(16-12-19)21(28)10-9-18-7-3-4-8-20(18)30-2/h3-4,7-8,19H,5-6,9-16H2,1-2H3.
What are the key properties of 3-(2-methoxyphenyl)-1-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]propan-1-one?
3-(2-methoxyphenyl)-1-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]propan-1-one has a molecular weight of 425.53 g/mol, XLogP of 3.57, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-1-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 71837780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).