N-[3-[(1R)-1-hydroxyethyl]phenyl]-1-(2-methoxyphenyl)-5-methyltriazole-4-carboxamide

C19H20N4O3 — CID 27261932

IUPACN-[3-[(1R)-1-hydroxyethyl]phenyl]-1-(2-methoxyphenyl)-5-methyltriazole-4-carboxamide
SMILESCOc1ccccc1-n1nnc(C(=O)Nc2cccc([C@@H](C)O)c2)c1C
InChIInChI=1S/C19H20N4O3/c1-12-18(19(25)20-15-8-6-7-14(11-15)13(2)24)21-22-23(12)16-9-4-5-10-17(16)26-3/h4-11,13,24H,1-3H3,(H,20,25)/t13-/m1/s1
InChIKeyWXUVPNAXUHCVKQ-CYBMUJFWSA-N
MW352.39 g/mol
LogP2.89
Rot. Bonds5

About N-[3-[(1R)-1-hydroxyethyl]phenyl]-1-(2-methoxyphenyl)-5-methyltriazole-4-carboxamide

N-[3-[(1R)-1-hydroxyethyl]phenyl]-1-(2-methoxyphenyl)-5-methyltriazole-4-carboxamide (PubChem CID 27261932) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is N-[3-[(1R)-1-hydroxyethyl]phenyl]-1-(2-methoxyphenyl)-5-methyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-[(1R)-1-hydroxyethyl]phenyl]-1-(2-methoxyphenyl)-5-methyltriazole-4-carboxamide
PubChem CID27261932
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC NameN-[3-[(1R)-1-hydroxyethyl]phenyl]-1-(2-methoxyphenyl)-5-methyltriazole-4-carboxamide
SMILESCOc1ccccc1-n1nnc(C(=O)Nc2cccc([C@@H](C)O)c2)c1C
InChIInChI=1S/C19H20N4O3/c1-12-18(19(25)20-15-8-6-7-14(11-15)13(2)24)21-22-23(12)16-9-4-5-10-17(16)26-3/h4-11,13,24H,1-3H3,(H,20,25)/t13-/m1/s1
InChIKeyWXUVPNAXUHCVKQ-CYBMUJFWSA-N
XLogP2.89
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chlorophenyl)-1-(2-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 2141172
N-[3-[(1S)-1-hydroxyethyl]phenyl]-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
CID 27245369
1-(2-methoxyphenyl)-5-methyl-N-[(1S)-1-(3-propan-2-yloxyphenyl)ethyl]triazole-4-carboxamide
CID 51950141
1-(4-chloro-3-methylphenyl)-N-[3-(1-hydroxyethyl)phenyl]-5-methyltriazole-4-carboxamide
CID 43845137
1-(2-methoxyphenyl)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)triazole-4-carboxamide
CID 6493801
5-methyl-1-phenyl-N-(3-propan-2-ylphenyl)triazole-4-carboxamide
CID 24825148
1-(2-ethoxyphenyl)-N-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 6493760
1-(3-methoxyphenyl)-5-methyl-N-(3-phenoxyphenyl)triazole-4-carboxamide
CID 55667186
1-(4-methoxyphenyl)-5-methyl-N-(3-phenoxyphenyl)triazole-4-carboxamide
CID 112821981
5-methyl-1-naphthalen-1-yl-N-phenyltriazole-4-carboxamide
CID 3053676
N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-5-methyl-1-(3-methylphenyl)triazole-4-carboxamide
CID 55887228
1-(2-fluorophenyl)-5-methyl-N-phenyltriazole-4-carboxamide
CID 2137590

Frequently Asked Questions

What is the IUPAC name of N-[3-[(1R)-1-hydroxyethyl]phenyl]-1-(2-methoxyphenyl)-5-methyltriazole-4-carboxamide?
The IUPAC name of N-[3-[(1R)-1-hydroxyethyl]phenyl]-1-(2-methoxyphenyl)-5-methyltriazole-4-carboxamide (CID 27261932) is N-[3-[(1R)-1-hydroxyethyl]phenyl]-1-(2-methoxyphenyl)-5-methyltriazole-4-carboxamide.
What is the SMILES notation for N-[3-[(1R)-1-hydroxyethyl]phenyl]-1-(2-methoxyphenyl)-5-methyltriazole-4-carboxamide?
The canonical SMILES for N-[3-[(1R)-1-hydroxyethyl]phenyl]-1-(2-methoxyphenyl)-5-methyltriazole-4-carboxamide is COc1ccccc1-n1nnc(C(=O)Nc2cccc([C@@H](C)O)c2)c1C.
What is the InChIKey of N-[3-[(1R)-1-hydroxyethyl]phenyl]-1-(2-methoxyphenyl)-5-methyltriazole-4-carboxamide?
The InChIKey is WXUVPNAXUHCVKQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-12-18(19(25)20-15-8-6-7-14(11-15)13(2)24)21-22-23(12)16-9-4-5-10-17(16)26-3/h4-11,13,24H,1-3H3,(H,20,25)/t13-/m1/s1.
What are the key properties of N-[3-[(1R)-1-hydroxyethyl]phenyl]-1-(2-methoxyphenyl)-5-methyltriazole-4-carboxamide?
N-[3-[(1R)-1-hydroxyethyl]phenyl]-1-(2-methoxyphenyl)-5-methyltriazole-4-carboxamide has a molecular weight of 352.39 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1R)-1-hydroxyethyl]phenyl]-1-(2-methoxyphenyl)-5-methyltriazole-4-carboxamide is sourced from PubChem (CID 27261932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).