2-methoxy-N-(oxetan-3-yl)-4-[(1-phenyl-1,2,4-triazol-3-yl)amino]benzamide

C19H19N5O3 — CID 134589815

IUPAC2-methoxy-N-(oxetan-3-yl)-4-[(1-phenyl-1,2,4-triazol-3-yl)amino]benzamide
SMILESCOc1cc(Nc2ncn(-c3ccccc3)n2)ccc1C(=O)NC1COC1
InChIInChI=1S/C19H19N5O3/c1-26-17-9-13(7-8-16(17)18(25)21-14-10-27-11-14)22-19-20-12-24(23-19)15-5-3-2-4-6-15/h2-9,12,14H,10-11H2,1H3,(H,21,25)(H,22,23)
InChIKeyJLFNPWNUJBVSPS-UHFFFAOYSA-N
MW365.39 g/mol
LogP2.15
Rot. Bonds6

About 2-methoxy-N-(oxetan-3-yl)-4-[(1-phenyl-1,2,4-triazol-3-yl)amino]benzamide

2-methoxy-N-(oxetan-3-yl)-4-[(1-phenyl-1,2,4-triazol-3-yl)amino]benzamide (PubChem CID 134589815) has the molecular formula C19H19N5O3 and a molecular weight of 365.39 g/mol. Its IUPAC name is 2-methoxy-N-(oxetan-3-yl)-4-[(1-phenyl-1,2,4-triazol-3-yl)amino]benzamide.

Molecular Properties

Compound Name2-methoxy-N-(oxetan-3-yl)-4-[(1-phenyl-1,2,4-triazol-3-yl)amino]benzamide
PubChem CID134589815
Molecular FormulaC19H19N5O3
Molecular Weight365.39 g/mol
Exact Mass365.15
IUPAC Name2-methoxy-N-(oxetan-3-yl)-4-[(1-phenyl-1,2,4-triazol-3-yl)amino]benzamide
SMILESCOc1cc(Nc2ncn(-c3ccccc3)n2)ccc1C(=O)NC1COC1
InChIInChI=1S/C19H19N5O3/c1-26-17-9-13(7-8-16(17)18(25)21-14-10-27-11-14)22-19-20-12-24(23-19)15-5-3-2-4-6-15/h2-9,12,14H,10-11H2,1H3,(H,21,25)(H,22,23)
InChIKeyJLFNPWNUJBVSPS-UHFFFAOYSA-N
XLogP2.15
TPSA90.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-methoxy-N-(oxetan-3-yl)-4-[(1-phenyl-1,2,4-triazol-3-yl)amino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[1-(4-fluorophenyl)-1,2,4-triazol-3-yl]amino]-N-(oxetan-3-yl)-2-propan-2-yloxybenzamide
CID 134589453
[2-methoxy-4-[(1-phenyl-1,2,4-triazol-3-yl)amino]phenyl]-morpholin-4-ylmethanone
CID 134589705
2-methoxy-5-[(1-phenyl-1,2,4-triazol-3-yl)amino]benzoic acid
CID 134589387
2-methoxy-N-methyl-5-[(1-phenyl-1,2,4-triazol-3-yl)amino]benzamide
CID 134589371
N-[3-methoxy-4-[(3R)-oxolan-3-yl]phenyl]-1-phenyl-1,2,4-triazol-3-amine
CID 134589468
N-(3,4-dimethoxyphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide
CID 15944274
3-(2,5-dimethoxyphenyl)-N-(oxan-3-yl)-1-phenylpyrazole-4-carboxamide
CID 56559378
4-[(1-phenyl-1,2,4-triazol-3-yl)amino]-2-propan-2-yloxybenzonitrile
CID 134589185
1-phenyl-N-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-amine
CID 11770857
N-(3-cyclopropyloxyphenyl)-1-phenyl-1,2,4-triazol-3-amine
CID 134589560
N-(1-benzylpiperidin-4-yl)-2-methoxy-4-(methylamino)benzamide
CID 58730731
2-methoxy-4-[(5-methylpyrimidin-2-yl)amino]benzoic acid
CID 107208994

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(oxetan-3-yl)-4-[(1-phenyl-1,2,4-triazol-3-yl)amino]benzamide?
The IUPAC name of 2-methoxy-N-(oxetan-3-yl)-4-[(1-phenyl-1,2,4-triazol-3-yl)amino]benzamide (CID 134589815) is 2-methoxy-N-(oxetan-3-yl)-4-[(1-phenyl-1,2,4-triazol-3-yl)amino]benzamide.
What is the SMILES notation for 2-methoxy-N-(oxetan-3-yl)-4-[(1-phenyl-1,2,4-triazol-3-yl)amino]benzamide?
The canonical SMILES for 2-methoxy-N-(oxetan-3-yl)-4-[(1-phenyl-1,2,4-triazol-3-yl)amino]benzamide is COc1cc(Nc2ncn(-c3ccccc3)n2)ccc1C(=O)NC1COC1.
What is the InChIKey of 2-methoxy-N-(oxetan-3-yl)-4-[(1-phenyl-1,2,4-triazol-3-yl)amino]benzamide?
The InChIKey is JLFNPWNUJBVSPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3/c1-26-17-9-13(7-8-16(17)18(25)21-14-10-27-11-14)22-19-20-12-24(23-19)15-5-3-2-4-6-15/h2-9,12,14H,10-11H2,1H3,(H,21,25)(H,22,23).
What are the key properties of 2-methoxy-N-(oxetan-3-yl)-4-[(1-phenyl-1,2,4-triazol-3-yl)amino]benzamide?
2-methoxy-N-(oxetan-3-yl)-4-[(1-phenyl-1,2,4-triazol-3-yl)amino]benzamide has a molecular weight of 365.39 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(oxetan-3-yl)-4-[(1-phenyl-1,2,4-triazol-3-yl)amino]benzamide is sourced from PubChem (CID 134589815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).