4-(2-methoxyphenyl)-1,3-benzoxazole-2-carboximidamide

C15H13N3O2 — CID 138741422

IUPAC4-(2-methoxyphenyl)-1,3-benzoxazole-2-carboximidamide
SMILES[H]/N=C(\N)c1nc2c(-c3ccccc3OC)cccc2o1
InChIInChI=1S/C15H13N3O2/c1-19-11-7-3-2-5-9(11)10-6-4-8-12-13(10)18-15(20-12)14(16)17/h2-8H,1H3,(H3,16,17)
InChIKeyVDISEWAPSWFSBG-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.79
Rot. Bonds3

About 4-(2-methoxyphenyl)-1,3-benzoxazole-2-carboximidamide

4-(2-methoxyphenyl)-1,3-benzoxazole-2-carboximidamide (PubChem CID 138741422) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-1,3-benzoxazole-2-carboximidamide.

Molecular Properties

Compound Name4-(2-methoxyphenyl)-1,3-benzoxazole-2-carboximidamide
PubChem CID138741422
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name4-(2-methoxyphenyl)-1,3-benzoxazole-2-carboximidamide
SMILES[H]/N=C(\N)c1nc2c(-c3ccccc3OC)cccc2o1
InChIInChI=1S/C15H13N3O2/c1-19-11-7-3-2-5-9(11)10-6-4-8-12-13(10)18-15(20-12)14(16)17/h2-8H,1H3,(H3,16,17)
InChIKeyVDISEWAPSWFSBG-UHFFFAOYSA-N
XLogP2.79
TPSA85.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

6-(2-methoxyphenyl)pyridine-2-carboximidamide
CID 14281216
methyl 4-methoxy-1,3-benzoxazole-2-carboxylate
CID 135000177
4-(2-methoxyphenyl)benzenecarboximidamide
CID 82287821
2-hydroxy-6-methoxybenzenecarboximidamide;hydrochloride
CID 171703209
2-(2-methoxyphenyl)-4-propyl-1,3-thiazole-5-carboximidamide
CID 82432584
2-(2-methoxyphenoxy)benzenecarboximidamide
CID 28601438
6-(2,6-dimethoxyphenoxy)pyridine-2-carboximidamide
CID 64596167
2-(4-methoxy-1,3-benzoxazol-2-yl)-6-methylaniline
CID 114764907
7-methoxy-1-benzothiophene-2-carboximidamide
CID 83677734
2,9-bis(2-methoxyphenyl)-1,10-phenanthroline
CID 10691911
5-methoxyisoquinoline-1-carboximidamide
CID 82573377
2-(2-methoxyethyl)-6-(2-methoxyphenyl)-3-oxopyridazine-4-carboximidamide
CID 82447618

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)-1,3-benzoxazole-2-carboximidamide?
The IUPAC name of 4-(2-methoxyphenyl)-1,3-benzoxazole-2-carboximidamide (CID 138741422) is 4-(2-methoxyphenyl)-1,3-benzoxazole-2-carboximidamide.
What is the SMILES notation for 4-(2-methoxyphenyl)-1,3-benzoxazole-2-carboximidamide?
The canonical SMILES for 4-(2-methoxyphenyl)-1,3-benzoxazole-2-carboximidamide is [H]/N=C(\N)c1nc2c(-c3ccccc3OC)cccc2o1.
What is the InChIKey of 4-(2-methoxyphenyl)-1,3-benzoxazole-2-carboximidamide?
The InChIKey is VDISEWAPSWFSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-19-11-7-3-2-5-9(11)10-6-4-8-12-13(10)18-15(20-12)14(16)17/h2-8H,1H3,(H3,16,17).
What are the key properties of 4-(2-methoxyphenyl)-1,3-benzoxazole-2-carboximidamide?
4-(2-methoxyphenyl)-1,3-benzoxazole-2-carboximidamide has a molecular weight of 267.29 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)-1,3-benzoxazole-2-carboximidamide is sourced from PubChem (CID 138741422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).