N-[(Z)-(4-methylphenyl)methylideneamino]-1,3-benzoxazol-2-amine

C15H13N3O — CID 122707158

IUPACN-[(Z)-(4-methylphenyl)methylideneamino]-1,3-benzoxazol-2-amine
SMILESCc1ccc(/C=N\Nc2nc3ccccc3o2)cc1
InChIInChI=1S/C15H13N3O/c1-11-6-8-12(9-7-11)10-16-18-15-17-13-4-2-3-5-14(13)19-15/h2-10H,1H3,(H,17,18)/b16-10-
InChIKeyYBLIVDWAKOLERQ-YBEGLDIGSA-N
MW251.29 g/mol
LogP3.58
Rot. Bonds3

About N-[(Z)-(4-methylphenyl)methylideneamino]-1,3-benzoxazol-2-amine

N-[(Z)-(4-methylphenyl)methylideneamino]-1,3-benzoxazol-2-amine (PubChem CID 122707158) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is N-[(Z)-(4-methylphenyl)methylideneamino]-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-[(Z)-(4-methylphenyl)methylideneamino]-1,3-benzoxazol-2-amine
PubChem CID122707158
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC NameN-[(Z)-(4-methylphenyl)methylideneamino]-1,3-benzoxazol-2-amine
SMILESCc1ccc(/C=N\Nc2nc3ccccc3o2)cc1
InChIInChI=1S/C15H13N3O/c1-11-6-8-12(9-7-11)10-16-18-15-17-13-4-2-3-5-14(13)19-15/h2-10H,1H3,(H,17,18)/b16-10-
InChIKeyYBLIVDWAKOLERQ-YBEGLDIGSA-N
XLogP3.58
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N-[(Z)-(4-tert-butylphenyl)methylideneamino]-1,3-benzoxazol-2-amine
CID 6164765
N-[(Z)-(4-bromophenyl)methylideneamino]-1,3-benzoxazol-2-amine
CID 6243908
N-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]-1,3-benzoxazol-2-amine
CID 6115065
N-[(3,4-dimethoxyphenyl)methylideneamino]-1,3-benzoxazol-2-amine
CID 3111005
4-[(1,3-benzoxazol-2-ylhydrazinylidene)methyl]benzene-1,2,3-triol
CID 4599440
N-[(Z)-(3-nitrophenyl)methylideneamino]-1,3-benzoxazol-2-amine
CID 122707156
N-[(Z)-[(3E)-3-(1,3-benzoxazol-2-ylhydrazinylidene)butan-2-ylidene]amino]-1,3-benzoxazol-2-amine
CID 171038353
N-[(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-1,3-benzoxazol-2-amine
CID 4047872
N-[(E)-(4-methylphenyl)methylideneamino]-1H-benzimidazol-2-amine
CID 14088787
N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-1,3-benzoxazol-2-amine
CID 6011166
1-N,4-N-bis[(E)-(4-methylphenyl)methylideneamino]phthalazine-1,4-diamine
CID 71482556
2-[(Z)-1-chloro-2-(4-methylphenyl)ethenyl]-1,3-benzoxazole
CID 9038895

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-methylphenyl)methylideneamino]-1,3-benzoxazol-2-amine?
The IUPAC name of N-[(Z)-(4-methylphenyl)methylideneamino]-1,3-benzoxazol-2-amine (CID 122707158) is N-[(Z)-(4-methylphenyl)methylideneamino]-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-[(Z)-(4-methylphenyl)methylideneamino]-1,3-benzoxazol-2-amine?
The canonical SMILES for N-[(Z)-(4-methylphenyl)methylideneamino]-1,3-benzoxazol-2-amine is Cc1ccc(/C=N\Nc2nc3ccccc3o2)cc1.
What is the InChIKey of N-[(Z)-(4-methylphenyl)methylideneamino]-1,3-benzoxazol-2-amine?
The InChIKey is YBLIVDWAKOLERQ-YBEGLDIGSA-N. The full InChI is InChI=1S/C15H13N3O/c1-11-6-8-12(9-7-11)10-16-18-15-17-13-4-2-3-5-14(13)19-15/h2-10H,1H3,(H,17,18)/b16-10-.
What are the key properties of N-[(Z)-(4-methylphenyl)methylideneamino]-1,3-benzoxazol-2-amine?
N-[(Z)-(4-methylphenyl)methylideneamino]-1,3-benzoxazol-2-amine has a molecular weight of 251.29 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-methylphenyl)methylideneamino]-1,3-benzoxazol-2-amine is sourced from PubChem (CID 122707158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).