5-(3-methoxyphenyl)-N-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-1,2-oxazole-3-carboxamide

C20H25N3O4 — CID 42822390

IUPAC5-(3-methoxyphenyl)-N-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-1,2-oxazole-3-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)NC(C)C(=O)N3CCC(C)CC3)no2)c1
InChIInChI=1S/C20H25N3O4/c1-13-7-9-23(10-8-13)20(25)14(2)21-19(24)17-12-18(27-22-17)15-5-4-6-16(11-15)26-3/h4-6,11-14H,7-10H2,1-3H3,(H,21,24)
InChIKeyJATZICNFXAZBSF-UHFFFAOYSA-N
MW371.44 g/mol
LogP2.73
Rot. Bonds5

About 5-(3-methoxyphenyl)-N-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-1,2-oxazole-3-carboxamide

5-(3-methoxyphenyl)-N-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-1,2-oxazole-3-carboxamide (PubChem CID 42822390) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-N-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(3-methoxyphenyl)-N-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-1,2-oxazole-3-carboxamide
PubChem CID42822390
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Name5-(3-methoxyphenyl)-N-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-1,2-oxazole-3-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)NC(C)C(=O)N3CCC(C)CC3)no2)c1
InChIInChI=1S/C20H25N3O4/c1-13-7-9-23(10-8-13)20(25)14(2)21-19(24)17-12-18(27-22-17)15-5-4-6-16(11-15)26-3/h4-6,11-14H,7-10H2,1-3H3,(H,21,24)
InChIKeyJATZICNFXAZBSF-UHFFFAOYSA-N
XLogP2.73
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-methoxyphenyl)-N-[(2R)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]-1,2-oxazole-3-carboxamide
CID 93140685
5-(3-methoxyphenyl)-N-[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl]-1,2-oxazole-3-carboxamide
CID 93140823
N-[2-(4-ethylpiperazin-1-yl)-2-oxo-1-phenylethyl]-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 51070161
[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone
CID 22427421
5-(3-methoxyphenyl)-N-[(2R)-1-oxo-1-(pyridin-2-ylmethylamino)propan-2-yl]-1,2-oxazole-3-carboxamide
CID 93140787
ethyl (3S)-1-[(2R)-2-[[5-(3-methoxyphenyl)-1,2-oxazole-3-carbonyl]amino]-3-phenylpropanoyl]piperidine-3-carboxylate
CID 93140691
N-[(1R)-1-(3-methoxyphenyl)ethyl]-5-(3-methylphenyl)-1,2-oxazole-3-carboxamide
CID 46087211
[5-(3-hydroxyphenyl)-1,2-oxazol-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 22427451
5-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-1,2-oxazole-3-carboxamide
CID 3239467
N-[(2R)-2-(4-methoxyphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 42272190
5-(3-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-3-carboxamide
CID 17252860
N-(imidazo[1,5-a]pyridin-3-ylmethyl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 110619665

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenyl)-N-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(3-methoxyphenyl)-N-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-1,2-oxazole-3-carboxamide (CID 42822390) is 5-(3-methoxyphenyl)-N-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(3-methoxyphenyl)-N-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(3-methoxyphenyl)-N-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-1,2-oxazole-3-carboxamide is COc1cccc(-c2cc(C(=O)NC(C)C(=O)N3CCC(C)CC3)no2)c1.
What is the InChIKey of 5-(3-methoxyphenyl)-N-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is JATZICNFXAZBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-13-7-9-23(10-8-13)20(25)14(2)21-19(24)17-12-18(27-22-17)15-5-4-6-16(11-15)26-3/h4-6,11-14H,7-10H2,1-3H3,(H,21,24).
What are the key properties of 5-(3-methoxyphenyl)-N-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-1,2-oxazole-3-carboxamide?
5-(3-methoxyphenyl)-N-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenyl)-N-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 42822390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).