N-[(Z)-[(4-methyl-1,2,5-oxadiazol-3-yl)-phenylmethylidene]amino]aniline

C16H14N4O — CID 13415358

IUPACN-[(Z)-[(4-methyl-1,2,5-oxadiazol-3-yl)-phenylmethylidene]amino]aniline
SMILESCc1nonc1/C(=N\Nc1ccccc1)c1ccccc1
InChIInChI=1S/C16H14N4O/c1-12-15(20-21-19-12)16(13-8-4-2-5-9-13)18-17-14-10-6-3-7-11-14/h2-11,17H,1H3/b18-16-
InChIKeyCCHNFFFBXGVSIW-VLGSPTGOSA-N
MW278.31 g/mol
LogP3.24
Rot. Bonds4

About N-[(Z)-[(4-methyl-1,2,5-oxadiazol-3-yl)-phenylmethylidene]amino]aniline

N-[(Z)-[(4-methyl-1,2,5-oxadiazol-3-yl)-phenylmethylidene]amino]aniline (PubChem CID 13415358) has the molecular formula C16H14N4O and a molecular weight of 278.31 g/mol. Its IUPAC name is N-[(Z)-[(4-methyl-1,2,5-oxadiazol-3-yl)-phenylmethylidene]amino]aniline.

Molecular Properties

Compound NameN-[(Z)-[(4-methyl-1,2,5-oxadiazol-3-yl)-phenylmethylidene]amino]aniline
PubChem CID13415358
Molecular FormulaC16H14N4O
Molecular Weight278.31 g/mol
Exact Mass278.12
IUPAC NameN-[(Z)-[(4-methyl-1,2,5-oxadiazol-3-yl)-phenylmethylidene]amino]aniline
SMILESCc1nonc1/C(=N\Nc1ccccc1)c1ccccc1
InChIInChI=1S/C16H14N4O/c1-12-15(20-21-19-12)16(13-8-4-2-5-9-13)18-17-14-10-6-3-7-11-14/h2-11,17H,1H3/b18-16-
InChIKeyCCHNFFFBXGVSIW-VLGSPTGOSA-N
XLogP3.24
TPSA63.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-methyl-4-nitroso-3-phenyl-1H-pyrazole
CID 4913129
N-[(E)-[(4,5-dimethyltriazol-2-yl)-phenylmethylidene]amino]aniline
CID 14381184
1-Oxo-2,4,5-triphenyl-2H-1lambda~5~,2,3-triazole
CID 12649721
5-(4-nitrophenyl)-4-phenyl-1H-1,2,3-triazole
CID 149252697
(NE)-N-[(4Z)-4-(phenylhydrazinylidene)-6,7-dihydro-2,1,3-benzoxadiazol-5-ylidene]hydroxylamine
CID 135400549
7-(2-Fluorophenyl)-3,6-dioxido-5-phenyl-4,6-dihydrotriazolo[4,5-e][2,1,3]benzoxadiazole-3,6-diium
CID 155231359
1-(4-Methyl-5-oxido-1,2,5-oxadiazol-3-yl)ethanone phenylhydrazone
CID 5749210
6,7-Dihydro-2,1,3-benzoxadiazole-4,5-dione 4-(phenylhydrazone) 5-oxime
CID 135521392
2H-1,2,3-Triazole, 2-(4-nitrophenyl)-4,5-diphenyl-
CID 10246761
2-(4-Nitrophenyl)-1-oxido-4,5-diphenyltriazol-1-ium
CID 13779304
4-nitroso-3,5-diphenyl-1H-pyrazole
CID 15566459
4-(4-nitrophenyl)-5-(1-phenylethenyl)-2H-triazole
CID 24858460

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(4-methyl-1,2,5-oxadiazol-3-yl)-phenylmethylidene]amino]aniline?
The IUPAC name of N-[(Z)-[(4-methyl-1,2,5-oxadiazol-3-yl)-phenylmethylidene]amino]aniline (CID 13415358) is N-[(Z)-[(4-methyl-1,2,5-oxadiazol-3-yl)-phenylmethylidene]amino]aniline.
What is the SMILES notation for N-[(Z)-[(4-methyl-1,2,5-oxadiazol-3-yl)-phenylmethylidene]amino]aniline?
The canonical SMILES for N-[(Z)-[(4-methyl-1,2,5-oxadiazol-3-yl)-phenylmethylidene]amino]aniline is Cc1nonc1/C(=N\Nc1ccccc1)c1ccccc1.
What is the InChIKey of N-[(Z)-[(4-methyl-1,2,5-oxadiazol-3-yl)-phenylmethylidene]amino]aniline?
The InChIKey is CCHNFFFBXGVSIW-VLGSPTGOSA-N. The full InChI is InChI=1S/C16H14N4O/c1-12-15(20-21-19-12)16(13-8-4-2-5-9-13)18-17-14-10-6-3-7-11-14/h2-11,17H,1H3/b18-16-.
What are the key properties of N-[(Z)-[(4-methyl-1,2,5-oxadiazol-3-yl)-phenylmethylidene]amino]aniline?
N-[(Z)-[(4-methyl-1,2,5-oxadiazol-3-yl)-phenylmethylidene]amino]aniline has a molecular weight of 278.31 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(4-methyl-1,2,5-oxadiazol-3-yl)-phenylmethylidene]amino]aniline is sourced from PubChem (CID 13415358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).