5-(4-methoxyphenyl)-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-pyrrolidin-1-yl-1,2-oxazole-4-carboxamide

C20H24N6O3 — CID 135092868

IUPAC5-(4-methoxyphenyl)-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-pyrrolidin-1-yl-1,2-oxazole-4-carboxamide
SMILESCOc1ccc(-c2onc(N3CCCC3)c2C(=O)N(C)Cc2nncn2C)cc1
InChIInChI=1S/C20H24N6O3/c1-24(12-16-22-21-13-25(16)2)20(27)17-18(14-6-8-15(28-3)9-7-14)29-23-19(17)26-10-4-5-11-26/h6-9,13H,4-5,10-12H2,1-3H3
InChIKeyJQFDXRGQRROXTD-UHFFFAOYSA-N
MW396.45 g/mol
LogP2.35
Rot. Bonds6

About 5-(4-methoxyphenyl)-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-pyrrolidin-1-yl-1,2-oxazole-4-carboxamide

5-(4-methoxyphenyl)-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-pyrrolidin-1-yl-1,2-oxazole-4-carboxamide (PubChem CID 135092868) has the molecular formula C20H24N6O3 and a molecular weight of 396.45 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-pyrrolidin-1-yl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-pyrrolidin-1-yl-1,2-oxazole-4-carboxamide
PubChem CID135092868
Molecular FormulaC20H24N6O3
Molecular Weight396.45 g/mol
Exact Mass396.19
IUPAC Name5-(4-methoxyphenyl)-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-pyrrolidin-1-yl-1,2-oxazole-4-carboxamide
SMILESCOc1ccc(-c2onc(N3CCCC3)c2C(=O)N(C)Cc2nncn2C)cc1
InChIInChI=1S/C20H24N6O3/c1-24(12-16-22-21-13-25(16)2)20(27)17-18(14-6-8-15(28-3)9-7-14)29-23-19(17)26-10-4-5-11-26/h6-9,13H,4-5,10-12H2,1-3H3
InChIKeyJQFDXRGQRROXTD-UHFFFAOYSA-N
XLogP2.35
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

5-(4-methoxyphenyl)-3-pyrrolidin-1-yl-1,2-oxazole-4-carboxylic acid
CID 139598398
5-(4-methoxyphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)-3-pyrrolidin-1-yl-1,2-oxazole-4-carboxamide
CID 135094494
5-(4-methoxyphenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-pyrrolidin-1-yl-1,2-oxazole-4-carboxamide
CID 135092544
N-cycloheptyl-5-(4-methoxyphenyl)-3-pyrrolidin-1-yl-1,2-oxazole-4-carboxamide
CID 135117222
[3-(hydroxymethyl)pyrrolidin-1-yl]-[5-(4-methoxyphenyl)-3-pyrrolidin-1-yl-1,2-oxazol-4-yl]methanone
CID 135115014
2-azaspiro[4.4]nonan-2-yl-[5-(4-methoxyphenyl)-3-pyrrolidin-1-yl-1,2-oxazol-4-yl]methanone
CID 135118686
[(3S)-3-aminopyrrolidin-1-yl]-[5-(4-methoxyphenyl)-3-pyrrolidin-1-yl-1,2-oxazol-4-yl]methanone
CID 135095143
N-(1-hydroxypentan-2-yl)-5-(4-methoxyphenyl)-3-pyrrolidin-1-yl-1,2-oxazole-4-carboxamide
CID 135108263
5-(4-methoxyphenyl)-3-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]-1,2-oxazole-4-carboxylic acid
CID 163309584
[5-(4-methoxyphenyl)-3-pyrrolidin-1-yl-1,2-oxazol-4-yl]-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone
CID 135094099
3-(2-cyclopropylmorpholin-4-yl)-5-(4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid
CID 135088728
N-methyl-3-morpholin-4-yl-N-(oxolan-2-ylmethyl)-5-phenyl-1,2-oxazole-4-carboxamide
CID 137337355

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-pyrrolidin-1-yl-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-(4-methoxyphenyl)-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-pyrrolidin-1-yl-1,2-oxazole-4-carboxamide (CID 135092868) is 5-(4-methoxyphenyl)-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-pyrrolidin-1-yl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-(4-methoxyphenyl)-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-pyrrolidin-1-yl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-(4-methoxyphenyl)-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-pyrrolidin-1-yl-1,2-oxazole-4-carboxamide is COc1ccc(-c2onc(N3CCCC3)c2C(=O)N(C)Cc2nncn2C)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-pyrrolidin-1-yl-1,2-oxazole-4-carboxamide?
The InChIKey is JQFDXRGQRROXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O3/c1-24(12-16-22-21-13-25(16)2)20(27)17-18(14-6-8-15(28-3)9-7-14)29-23-19(17)26-10-4-5-11-26/h6-9,13H,4-5,10-12H2,1-3H3.
What are the key properties of 5-(4-methoxyphenyl)-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-pyrrolidin-1-yl-1,2-oxazole-4-carboxamide?
5-(4-methoxyphenyl)-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-pyrrolidin-1-yl-1,2-oxazole-4-carboxamide has a molecular weight of 396.45 g/mol, XLogP of 2.35, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-pyrrolidin-1-yl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 135092868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).