4-[(Z)-N-(1,3-benzoxazol-2-ylamino)-C-methylcarbonimidoyl]phenol

C15H13N3O2 — CID 135411214

IUPAC4-[(Z)-N-(1,3-benzoxazol-2-ylamino)-C-methylcarbonimidoyl]phenol
SMILESC/C(=N/Nc1nc2ccccc2o1)c1ccc(O)cc1
InChIInChI=1S/C15H13N3O2/c1-10(11-6-8-12(19)9-7-11)17-18-15-16-13-4-2-3-5-14(13)20-15/h2-9,19H,1H3,(H,16,18)/b17-10-
InChIKeyQZYPGTVKUYJBHK-YVLHZVERSA-N
MW267.29 g/mol
LogP3.37
Rot. Bonds3

About 4-[(Z)-N-(1,3-benzoxazol-2-ylamino)-C-methylcarbonimidoyl]phenol

4-[(Z)-N-(1,3-benzoxazol-2-ylamino)-C-methylcarbonimidoyl]phenol (PubChem CID 135411214) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 4-[(Z)-N-(1,3-benzoxazol-2-ylamino)-C-methylcarbonimidoyl]phenol.

Molecular Properties

Compound Name4-[(Z)-N-(1,3-benzoxazol-2-ylamino)-C-methylcarbonimidoyl]phenol
PubChem CID135411214
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name4-[(Z)-N-(1,3-benzoxazol-2-ylamino)-C-methylcarbonimidoyl]phenol
SMILESC/C(=N/Nc1nc2ccccc2o1)c1ccc(O)cc1
InChIInChI=1S/C15H13N3O2/c1-10(11-6-8-12(19)9-7-11)17-18-15-16-13-4-2-3-5-14(13)20-15/h2-9,19H,1H3,(H,16,18)/b17-10-
InChIKeyQZYPGTVKUYJBHK-YVLHZVERSA-N
XLogP3.37
TPSA70.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-[(3E)-3-(1,3-benzoxazol-2-ylhydrazinylidene)butan-2-ylidene]amino]-1,3-benzoxazol-2-amine
CID 171038353
N-[1-[6-[N-(1,3-benzoxazol-2-ylamino)-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]-1,3-benzoxazol-2-amine
CID 171340495
4-[(Z)-C-methyl-N-(quinazolin-4-ylamino)carbonimidoyl]phenol
CID 135877631
N-(2,5-dimethylpyrrol-1-yl)-1,3-benzoxazol-2-amine
CID 79106270
4-[(1,3-benzoxazol-2-ylhydrazinylidene)methyl]benzene-1,2,3-triol
CID 4599440
2-(1,3-benzoxazol-2-ylamino)-2-methylpropan-1-ol
CID 60969632
4-[C-methyl-N-[(4-methyl-6-phenylpyrimidin-2-yl)amino]carbonimidoyl]phenol
CID 2842182
3-[(1,3-benzoxazol-2-ylamino)methyl]phenol
CID 22241271
N-[(Z)-(4-methylphenyl)methylideneamino]-1,3-benzoxazol-2-amine
CID 122707158
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(E)-1-(4-phenylphenyl)ethylideneamino]acetamide
CID 7182405
1-(1,3-benzoxazol-2-ylamino)-2-methylpropan-2-ol
CID 63118851
N-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]-1,3-benzoxazol-2-amine
CID 6115065

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-N-(1,3-benzoxazol-2-ylamino)-C-methylcarbonimidoyl]phenol?
The IUPAC name of 4-[(Z)-N-(1,3-benzoxazol-2-ylamino)-C-methylcarbonimidoyl]phenol (CID 135411214) is 4-[(Z)-N-(1,3-benzoxazol-2-ylamino)-C-methylcarbonimidoyl]phenol.
What is the SMILES notation for 4-[(Z)-N-(1,3-benzoxazol-2-ylamino)-C-methylcarbonimidoyl]phenol?
The canonical SMILES for 4-[(Z)-N-(1,3-benzoxazol-2-ylamino)-C-methylcarbonimidoyl]phenol is C/C(=N/Nc1nc2ccccc2o1)c1ccc(O)cc1.
What is the InChIKey of 4-[(Z)-N-(1,3-benzoxazol-2-ylamino)-C-methylcarbonimidoyl]phenol?
The InChIKey is QZYPGTVKUYJBHK-YVLHZVERSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-10(11-6-8-12(19)9-7-11)17-18-15-16-13-4-2-3-5-14(13)20-15/h2-9,19H,1H3,(H,16,18)/b17-10-.
What are the key properties of 4-[(Z)-N-(1,3-benzoxazol-2-ylamino)-C-methylcarbonimidoyl]phenol?
4-[(Z)-N-(1,3-benzoxazol-2-ylamino)-C-methylcarbonimidoyl]phenol has a molecular weight of 267.29 g/mol, XLogP of 3.37, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-N-(1,3-benzoxazol-2-ylamino)-C-methylcarbonimidoyl]phenol is sourced from PubChem (CID 135411214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).