1-[2-[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]piperidine-4-carboxamide

C18H20ClN3O3 — CID 110673679

IUPAC1-[2-[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]piperidine-4-carboxamide
SMILESCc1oc(-c2cccc(Cl)c2)nc1CC(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C18H20ClN3O3/c1-11-15(21-18(25-11)13-3-2-4-14(19)9-13)10-16(23)22-7-5-12(6-8-22)17(20)24/h2-4,9,12H,5-8,10H2,1H3,(H2,20,24)
InChIKeyHPBVSSLZXKZBSD-UHFFFAOYSA-N
MW361.83 g/mol
LogP2.57
Rot. Bonds4

About 1-[2-[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]piperidine-4-carboxamide

1-[2-[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]piperidine-4-carboxamide (PubChem CID 110673679) has the molecular formula C18H20ClN3O3 and a molecular weight of 361.83 g/mol. Its IUPAC name is 1-[2-[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]piperidine-4-carboxamide
PubChem CID110673679
Molecular FormulaC18H20ClN3O3
Molecular Weight361.83 g/mol
Exact Mass361.12
IUPAC Name1-[2-[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]piperidine-4-carboxamide
SMILESCc1oc(-c2cccc(Cl)c2)nc1CC(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C18H20ClN3O3/c1-11-15(21-18(25-11)13-3-2-4-14(19)9-13)10-16(23)22-7-5-12(6-8-22)17(20)24/h2-4,9,12H,5-8,10H2,1H3,(H2,20,24)
InChIKeyHPBVSSLZXKZBSD-UHFFFAOYSA-N
XLogP2.57
TPSA89.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-aminopiperidin-1-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone
CID 119374953
2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone
CID 110612077
1-[2-(3-chlorophenyl)acetyl]piperidine-4-carboxamide
CID 95211420
1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-cyclopentylpiperidine-4-carboxamide
CID 20859881
1-(4-acetylpiperazin-1-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone
CID 36708636
ethyl 4-[[2-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]acetyl]amino]piperidine-1-carboxylate
CID 24789561
1-(4-acetylpiperazin-1-yl)-2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethanone
CID 110355555
1-[2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetyl]piperidine-4-carboxylic acid
CID 119166403
2-[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]-1-(3-methylpiperidin-1-yl)ethanone
CID 110416327
2-(5-methyl-2-pyridin-3-yl-1,3-oxazol-4-yl)-1-pyrrolidin-1-ylethanone
CID 110371859
[1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-4-yl]methanamine
CID 56760461
4-[[2-[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]amino]benzamide
CID 110673681

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]piperidine-4-carboxamide (CID 110673679) is 1-[2-[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]piperidine-4-carboxamide is Cc1oc(-c2cccc(Cl)c2)nc1CC(=O)N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-[2-[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]piperidine-4-carboxamide?
The InChIKey is HPBVSSLZXKZBSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O3/c1-11-15(21-18(25-11)13-3-2-4-14(19)9-13)10-16(23)22-7-5-12(6-8-22)17(20)24/h2-4,9,12H,5-8,10H2,1H3,(H2,20,24).
What are the key properties of 1-[2-[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]piperidine-4-carboxamide?
1-[2-[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]piperidine-4-carboxamide has a molecular weight of 361.83 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 110673679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).