2-imino-3-(4-methoxyphenyl)-1,3-benzoxazol-5-ol

C14H12N2O3 — CID 102189150

IUPAC2-imino-3-(4-methoxyphenyl)-1,3-benzoxazol-5-ol
SMILES[H]/N=c1\oc2ccc(O)cc2n1-c1ccc(OC)cc1
InChIInChI=1S/C14H12N2O3/c1-18-11-5-2-9(3-6-11)16-12-8-10(17)4-7-13(12)19-14(16)15/h2-8,15,17H,1H3/b15-14-
InChIKeyNVFKNDWRDNBVKM-PFONDFGASA-N
MW256.26 g/mol
LogP2.42
Rot. Bonds2

About 2-imino-3-(4-methoxyphenyl)-1,3-benzoxazol-5-ol

2-imino-3-(4-methoxyphenyl)-1,3-benzoxazol-5-ol (PubChem CID 102189150) has the molecular formula C14H12N2O3 and a molecular weight of 256.26 g/mol. Its IUPAC name is 2-imino-3-(4-methoxyphenyl)-1,3-benzoxazol-5-ol.

Molecular Properties

Compound Name2-imino-3-(4-methoxyphenyl)-1,3-benzoxazol-5-ol
PubChem CID102189150
Molecular FormulaC14H12N2O3
Molecular Weight256.26 g/mol
Exact Mass256.08
IUPAC Name2-imino-3-(4-methoxyphenyl)-1,3-benzoxazol-5-ol
SMILES[H]/N=c1\oc2ccc(O)cc2n1-c1ccc(OC)cc1
InChIInChI=1S/C14H12N2O3/c1-18-11-5-2-9(3-6-11)16-12-8-10(17)4-7-13(12)19-14(16)15/h2-8,15,17H,1H3/b15-14-
InChIKeyNVFKNDWRDNBVKM-PFONDFGASA-N
XLogP2.42
TPSA71.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methane;4-methoxyphenol
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bis(4-methoxyphenol);zirconium(2+);dichloride
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3-chloro-1-(4-methoxyphenyl)pyrrole-2,5-diol
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2-(2-hydroxy-4-methoxyphenyl)-1-benzofuran-6-ol
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(5-hydroxy-2-methyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone
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3-hydroxy-1-(4-methoxyphenyl)quinolin-2-one
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5-hydroxy-3-(4-methoxyphenyl)-4-sulfanylidene-1,3-benzoxazin-2-one
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9-(4-methoxyphenyl)-2,7-dimethylcarbazole
CID 129212267
3,4-bis(4-methoxyphenoxy)phenol
CID 139941919
16-imino-18-(4-methoxyphenyl)-15-methyl-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2(7),3,5,8,12(17),13-heptaen-4-ol
CID 101182402

Frequently Asked Questions

What is the IUPAC name of 2-imino-3-(4-methoxyphenyl)-1,3-benzoxazol-5-ol?
The IUPAC name of 2-imino-3-(4-methoxyphenyl)-1,3-benzoxazol-5-ol (CID 102189150) is 2-imino-3-(4-methoxyphenyl)-1,3-benzoxazol-5-ol.
What is the SMILES notation for 2-imino-3-(4-methoxyphenyl)-1,3-benzoxazol-5-ol?
The canonical SMILES for 2-imino-3-(4-methoxyphenyl)-1,3-benzoxazol-5-ol is [H]/N=c1\oc2ccc(O)cc2n1-c1ccc(OC)cc1.
What is the InChIKey of 2-imino-3-(4-methoxyphenyl)-1,3-benzoxazol-5-ol?
The InChIKey is NVFKNDWRDNBVKM-PFONDFGASA-N. The full InChI is InChI=1S/C14H12N2O3/c1-18-11-5-2-9(3-6-11)16-12-8-10(17)4-7-13(12)19-14(16)15/h2-8,15,17H,1H3/b15-14-.
What are the key properties of 2-imino-3-(4-methoxyphenyl)-1,3-benzoxazol-5-ol?
2-imino-3-(4-methoxyphenyl)-1,3-benzoxazol-5-ol has a molecular weight of 256.26 g/mol, XLogP of 2.42, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-3-(4-methoxyphenyl)-1,3-benzoxazol-5-ol is sourced from PubChem (CID 102189150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).