1-[4-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]butanoyl]piperidine-4-carboxamide

C20H25N3O4 — CID 122175637

IUPAC1-[4-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]butanoyl]piperidine-4-carboxamide
SMILESCOc1ccc(-c2cc(CCCC(=O)N3CCC(C(N)=O)CC3)no2)cc1
InChIInChI=1S/C20H25N3O4/c1-26-17-7-5-14(6-8-17)18-13-16(22-27-18)3-2-4-19(24)23-11-9-15(10-12-23)20(21)25/h5-8,13,15H,2-4,9-12H2,1H3,(H2,21,25)
InChIKeyAVEUMZMHXCFQIZ-UHFFFAOYSA-N
MW371.44 g/mol
LogP2.40
Rot. Bonds7

About 1-[4-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]butanoyl]piperidine-4-carboxamide

1-[4-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]butanoyl]piperidine-4-carboxamide (PubChem CID 122175637) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is 1-[4-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]butanoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]butanoyl]piperidine-4-carboxamide
PubChem CID122175637
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Name1-[4-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]butanoyl]piperidine-4-carboxamide
SMILESCOc1ccc(-c2cc(CCCC(=O)N3CCC(C(N)=O)CC3)no2)cc1
InChIInChI=1S/C20H25N3O4/c1-26-17-7-5-14(6-8-17)18-13-16(22-27-18)3-2-4-19(24)23-11-9-15(10-12-23)20(21)25/h5-8,13,15H,2-4,9-12H2,1H3,(H2,21,25)
InChIKeyAVEUMZMHXCFQIZ-UHFFFAOYSA-N
XLogP2.40
TPSA98.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(furan-2-carbonyl)piperazin-1-yl]-4-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]butan-1-one
CID 5308433
1-[2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]acetyl]piperidine-4-carboxamide
CID 16878731
1-[2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]acetyl]piperidine-4-carboxamide
CID 20906225
1-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanoyl]piperidine-4-carboxamide
CID 46429860
1-[2-(2-chloro-4-methoxyphenyl)acetyl]piperidine-4-carboxamide
CID 110769975
1-[4-(2,4-dimethoxyphenyl)-4-hydroxybutanoyl]piperidine-4-carboxamide
CID 84550395
[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl 3-(4-methoxyphenyl)propanoate
CID 16870033
1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 957363
4-[5-(4-ethoxyphenyl)-1,2-oxazol-3-yl]-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butan-1-one
CID 20868658
1-[2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy]acetyl]piperidine-4-carboxamide
CID 17254280
1-[2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetyl]piperidine-4-carboxamide
CID 16879586
1-[2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 9442958

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]butanoyl]piperidine-4-carboxamide?
The IUPAC name of 1-[4-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]butanoyl]piperidine-4-carboxamide (CID 122175637) is 1-[4-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]butanoyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]butanoyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]butanoyl]piperidine-4-carboxamide is COc1ccc(-c2cc(CCCC(=O)N3CCC(C(N)=O)CC3)no2)cc1.
What is the InChIKey of 1-[4-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]butanoyl]piperidine-4-carboxamide?
The InChIKey is AVEUMZMHXCFQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-26-17-7-5-14(6-8-17)18-13-16(22-27-18)3-2-4-19(24)23-11-9-15(10-12-23)20(21)25/h5-8,13,15H,2-4,9-12H2,1H3,(H2,21,25).
What are the key properties of 1-[4-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]butanoyl]piperidine-4-carboxamide?
1-[4-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]butanoyl]piperidine-4-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]butanoyl]piperidine-4-carboxamide is sourced from PubChem (CID 122175637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).