N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-N'-[(2S)-3-methylbutan-2-yl]oxamide

C18H23N5O2 — CID 95773539

IUPACN-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-N'-[(2S)-3-methylbutan-2-yl]oxamide
SMILESCC(C)[C@H](C)NC(=O)C(=O)Nc1cccc(-c2n[nH]c(C3CC3)n2)c1
InChIInChI=1S/C18H23N5O2/c1-10(2)11(3)19-17(24)18(25)20-14-6-4-5-13(9-14)16-21-15(22-23-16)12-7-8-12/h4-6,9-12H,7-8H2,1-3H3,(H,19,24)(H,20,25)(H,21,22,23)/t11-/m0/s1
InChIKeyAHKMHUVWMRSLRZ-NSHDSACASA-N
MW341.42 g/mol
LogP2.45
Rot. Bonds5

About N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-N'-[(2S)-3-methylbutan-2-yl]oxamide

N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-N'-[(2S)-3-methylbutan-2-yl]oxamide (PubChem CID 95773539) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-N'-[(2S)-3-methylbutan-2-yl]oxamide.

Molecular Properties

Compound NameN-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-N'-[(2S)-3-methylbutan-2-yl]oxamide
PubChem CID95773539
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC NameN-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-N'-[(2S)-3-methylbutan-2-yl]oxamide
SMILESCC(C)[C@H](C)NC(=O)C(=O)Nc1cccc(-c2n[nH]c(C3CC3)n2)c1
InChIInChI=1S/C18H23N5O2/c1-10(2)11(3)19-17(24)18(25)20-14-6-4-5-13(9-14)16-21-15(22-23-16)12-7-8-12/h4-6,9-12H,7-8H2,1-3H3,(H,19,24)(H,20,25)(H,21,22,23)/t11-/m0/s1
InChIKeyAHKMHUVWMRSLRZ-NSHDSACASA-N
XLogP2.45
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-N'-[(1S)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-methylpropyl]oxamide
CID 97317517
N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-4-(methylamino)butanamide
CID 119763580
(2R,6R)-N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-2,6-dimethylmorpholine-4-carboxamide
CID 95571034
5-[[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]carbamoyl]pyrazine-2-carboxylic acid
CID 167925038
1-amino-N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119311925
N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide
CID 86882469
N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119763609
9-amino-N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120988682
N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]morpholine-3-carboxamide;hydrochloride
CID 119763577
(Z)-N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-3-(1,3-thiazol-2-yl)prop-2-enamide
CID 97464271
N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)acetamide;2,2,2-trifluoroacetic acid
CID 166210867
N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119763582

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-N'-[(2S)-3-methylbutan-2-yl]oxamide?
The IUPAC name of N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-N'-[(2S)-3-methylbutan-2-yl]oxamide (CID 95773539) is N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-N'-[(2S)-3-methylbutan-2-yl]oxamide.
What is the SMILES notation for N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-N'-[(2S)-3-methylbutan-2-yl]oxamide?
The canonical SMILES for N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-N'-[(2S)-3-methylbutan-2-yl]oxamide is CC(C)[C@H](C)NC(=O)C(=O)Nc1cccc(-c2n[nH]c(C3CC3)n2)c1.
What is the InChIKey of N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-N'-[(2S)-3-methylbutan-2-yl]oxamide?
The InChIKey is AHKMHUVWMRSLRZ-NSHDSACASA-N. The full InChI is InChI=1S/C18H23N5O2/c1-10(2)11(3)19-17(24)18(25)20-14-6-4-5-13(9-14)16-21-15(22-23-16)12-7-8-12/h4-6,9-12H,7-8H2,1-3H3,(H,19,24)(H,20,25)(H,21,22,23)/t11-/m0/s1.
What are the key properties of N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-N'-[(2S)-3-methylbutan-2-yl]oxamide?
N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-N'-[(2S)-3-methylbutan-2-yl]oxamide has a molecular weight of 341.42 g/mol, XLogP of 2.45, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-N'-[(2S)-3-methylbutan-2-yl]oxamide is sourced from PubChem (CID 95773539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).