N-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-1-pyrrolidin-3-yltriazole-4-carboxamide

C18H20N6O2 — CID 166238611

IUPACN-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-1-pyrrolidin-3-yltriazole-4-carboxamide
SMILESCc1nc(-c2ccc(NC(=O)c3cn(C4CCNC4)nn3)cc2)oc1C
InChIInChI=1S/C18H20N6O2/c1-11-12(2)26-18(20-11)13-3-5-14(6-4-13)21-17(25)16-10-24(23-22-16)15-7-8-19-9-15/h3-6,10,15,19H,7-9H2,1-2H3,(H,21,25)
InChIKeyFAEKETFLKJHJSB-UHFFFAOYSA-N
MW352.40 g/mol
LogP2.34
Rot. Bonds4

About N-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-1-pyrrolidin-3-yltriazole-4-carboxamide

N-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-1-pyrrolidin-3-yltriazole-4-carboxamide (PubChem CID 166238611) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is N-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-1-pyrrolidin-3-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-1-pyrrolidin-3-yltriazole-4-carboxamide
PubChem CID166238611
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC NameN-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-1-pyrrolidin-3-yltriazole-4-carboxamide
SMILESCc1nc(-c2ccc(NC(=O)c3cn(C4CCNC4)nn3)cc2)oc1C
InChIInChI=1S/C18H20N6O2/c1-11-12(2)26-18(20-11)13-3-5-14(6-4-13)21-17(25)16-10-24(23-22-16)15-7-8-19-9-15/h3-6,10,15,19H,7-9H2,1-2H3,(H,21,25)
InChIKeyFAEKETFLKJHJSB-UHFFFAOYSA-N
XLogP2.34
TPSA97.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-(azetidin-3-yl)-N-(4-methoxyphenyl)triazole-4-carboxamide
CID 79316576
N-(3-bromo-4-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119704614
ethyl 4-[(1-piperidin-4-yltriazole-4-carbonyl)amino]benzoate;hydrochloride
CID 119672434
N-[4-(cyclopropylcarbamoylamino)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119702447
N-(4-tert-butylsulfanylphenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119769642
1-piperidin-4-yl-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]triazole-4-carboxamide;dihydrochloride
CID 119883333
methyl 1-[(3S)-pyrrolidin-3-yl]triazole-4-carboxylate
CID 97297705
N-(1H-indol-5-yl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119702697
N-[4-(3-methylbutanoylamino)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119703611
N-(3,4-dichlorophenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 75419668
N-[3-(difluoromethoxy)-4-methylphenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119786724
1-piperidin-4-yl-N-[4-(propylsulfonylamino)phenyl]triazole-4-carboxamide;hydrochloride
CID 119754212

Frequently Asked Questions

What is the IUPAC name of N-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-1-pyrrolidin-3-yltriazole-4-carboxamide?
The IUPAC name of N-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-1-pyrrolidin-3-yltriazole-4-carboxamide (CID 166238611) is N-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-1-pyrrolidin-3-yltriazole-4-carboxamide.
What is the SMILES notation for N-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-1-pyrrolidin-3-yltriazole-4-carboxamide?
The canonical SMILES for N-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-1-pyrrolidin-3-yltriazole-4-carboxamide is Cc1nc(-c2ccc(NC(=O)c3cn(C4CCNC4)nn3)cc2)oc1C.
What is the InChIKey of N-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-1-pyrrolidin-3-yltriazole-4-carboxamide?
The InChIKey is FAEKETFLKJHJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2/c1-11-12(2)26-18(20-11)13-3-5-14(6-4-13)21-17(25)16-10-24(23-22-16)15-7-8-19-9-15/h3-6,10,15,19H,7-9H2,1-2H3,(H,21,25).
What are the key properties of N-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-1-pyrrolidin-3-yltriazole-4-carboxamide?
N-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-1-pyrrolidin-3-yltriazole-4-carboxamide has a molecular weight of 352.40 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-1-pyrrolidin-3-yltriazole-4-carboxamide is sourced from PubChem (CID 166238611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).