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

C16H15N3O3 — CID 3111005

IUPACN-[(3,4-dimethoxyphenyl)methylideneamino]-1,3-benzoxazol-2-amine
SMILESCOc1ccc(C=NNc2nc3ccccc3o2)cc1OC
InChIInChI=1S/C16H15N3O3/c1-20-14-8-7-11(9-15(14)21-2)10-17-19-16-18-12-5-3-4-6-13(12)22-16/h3-10H,1-2H3,(H,18,19)
InChIKeyYRONOUXWYIBQQO-UHFFFAOYSA-N
MW297.31 g/mol
LogP3.29
Rot. Bonds5

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

N-[(3,4-dimethoxyphenyl)methylideneamino]-1,3-benzoxazol-2-amine (PubChem CID 3111005) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methylideneamino]-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methylideneamino]-1,3-benzoxazol-2-amine
PubChem CID3111005
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC NameN-[(3,4-dimethoxyphenyl)methylideneamino]-1,3-benzoxazol-2-amine
SMILESCOc1ccc(C=NNc2nc3ccccc3o2)cc1OC
InChIInChI=1S/C16H15N3O3/c1-20-14-8-7-11(9-15(14)21-2)10-17-19-16-18-12-5-3-4-6-13(12)22-16/h3-10H,1-2H3,(H,18,19)
InChIKeyYRONOUXWYIBQQO-UHFFFAOYSA-N
XLogP3.29
TPSA68.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-tert-butylphenyl)methylideneamino]-1,3-benzoxazol-2-amine
CID 6164765
N-[(Z)-(4-bromophenyl)methylideneamino]-1,3-benzoxazol-2-amine
CID 6243908
N-[(3,4-dimethoxyphenyl)methyl]-1,3-benzoxazol-2-amine
CID 60715920
2-[2-(3,4-dimethoxyphenyl)ethenyl]-1,3-benzoxazole
CID 2729280
N-[(Z)-(3-nitrophenyl)methylideneamino]-1,3-benzoxazol-2-amine
CID 122707156
N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-4,6-diphenylpyrimidin-2-amine
CID 5338271
N-[(3,4-dimethoxyphenyl)methylideneamino]-5,6-diphenyl-1,2,4-triazin-3-amine
CID 2846735
N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-1,3-benzoxazol-2-amine
CID 6011166
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 6882841
4-[(1,3-benzoxazol-2-ylhydrazinylidene)methyl]benzene-1,2,3-triol
CID 4599440
N-[(3,4-dimethoxyphenyl)methylideneamino]-4-phenyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 5189695

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methylideneamino]-1,3-benzoxazol-2-amine?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methylideneamino]-1,3-benzoxazol-2-amine (CID 3111005) is N-[(3,4-dimethoxyphenyl)methylideneamino]-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methylideneamino]-1,3-benzoxazol-2-amine?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methylideneamino]-1,3-benzoxazol-2-amine is COc1ccc(C=NNc2nc3ccccc3o2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methylideneamino]-1,3-benzoxazol-2-amine?
The InChIKey is YRONOUXWYIBQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-20-14-8-7-11(9-15(14)21-2)10-17-19-16-18-12-5-3-4-6-13(12)22-16/h3-10H,1-2H3,(H,18,19).
What are the key properties of N-[(3,4-dimethoxyphenyl)methylideneamino]-1,3-benzoxazol-2-amine?
N-[(3,4-dimethoxyphenyl)methylideneamino]-1,3-benzoxazol-2-amine has a molecular weight of 297.31 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methylideneamino]-1,3-benzoxazol-2-amine is sourced from PubChem (CID 3111005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).