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

C18H19N3O — CID 6164765

IUPACN-[(Z)-(4-tert-butylphenyl)methylideneamino]-1,3-benzoxazol-2-amine
SMILESCC(C)(C)c1ccc(/C=N\Nc2nc3ccccc3o2)cc1
InChIInChI=1S/C18H19N3O/c1-18(2,3)14-10-8-13(9-11-14)12-19-21-17-20-15-6-4-5-7-16(15)22-17/h4-12H,1-3H3,(H,20,21)/b19-12-
InChIKeyGFHBQFDXOKYVIN-UNOMPAQXSA-N
MW293.37 g/mol
LogP4.57
Rot. Bonds3

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

N-[(Z)-(4-tert-butylphenyl)methylideneamino]-1,3-benzoxazol-2-amine (PubChem CID 6164765) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is N-[(Z)-(4-tert-butylphenyl)methylideneamino]-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-[(Z)-(4-tert-butylphenyl)methylideneamino]-1,3-benzoxazol-2-amine
PubChem CID6164765
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC NameN-[(Z)-(4-tert-butylphenyl)methylideneamino]-1,3-benzoxazol-2-amine
SMILESCC(C)(C)c1ccc(/C=N\Nc2nc3ccccc3o2)cc1
InChIInChI=1S/C18H19N3O/c1-18(2,3)14-10-8-13(9-11-14)12-19-21-17-20-15-6-4-5-7-16(15)22-17/h4-12H,1-3H3,(H,20,21)/b19-12-
InChIKeyGFHBQFDXOKYVIN-UNOMPAQXSA-N
XLogP4.57
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.57
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-methylphenyl)methylideneamino]-1,3-benzoxazol-2-amine
CID 122707158
N-[(Z)-(4-bromophenyl)methylideneamino]-1,3-benzoxazol-2-amine
CID 6243908
N-[(3,4-dimethoxyphenyl)methylideneamino]-1,3-benzoxazol-2-amine
CID 3111005
N-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]-1,3-benzoxazol-2-amine
CID 6115065
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-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-1,3-benzoxazol-2-amine
CID 6011166
1-(1,3-benzoxazol-2-ylamino)-2-methylpropan-2-ol
CID 63118851
N-[(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-1,3-benzoxazol-2-amine
CID 4047872
2-[(Z)-(1,3-benzoxazol-2-ylhydrazinylidene)methyl]-4-nitrophenol
CID 137165787
(E)-3-(1,3-benzoxazol-2-yl)-4-(4-tert-butylphenyl)but-3-enoate
CID 7986829

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-tert-butylphenyl)methylideneamino]-1,3-benzoxazol-2-amine?
The IUPAC name of N-[(Z)-(4-tert-butylphenyl)methylideneamino]-1,3-benzoxazol-2-amine (CID 6164765) is N-[(Z)-(4-tert-butylphenyl)methylideneamino]-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-[(Z)-(4-tert-butylphenyl)methylideneamino]-1,3-benzoxazol-2-amine?
The canonical SMILES for N-[(Z)-(4-tert-butylphenyl)methylideneamino]-1,3-benzoxazol-2-amine is CC(C)(C)c1ccc(/C=N\Nc2nc3ccccc3o2)cc1.
What is the InChIKey of N-[(Z)-(4-tert-butylphenyl)methylideneamino]-1,3-benzoxazol-2-amine?
The InChIKey is GFHBQFDXOKYVIN-UNOMPAQXSA-N. The full InChI is InChI=1S/C18H19N3O/c1-18(2,3)14-10-8-13(9-11-14)12-19-21-17-20-15-6-4-5-7-16(15)22-17/h4-12H,1-3H3,(H,20,21)/b19-12-.
What are the key properties of N-[(Z)-(4-tert-butylphenyl)methylideneamino]-1,3-benzoxazol-2-amine?
N-[(Z)-(4-tert-butylphenyl)methylideneamino]-1,3-benzoxazol-2-amine has a molecular weight of 293.37 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-tert-butylphenyl)methylideneamino]-1,3-benzoxazol-2-amine is sourced from PubChem (CID 6164765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).