2-(3-methoxyphenyl)-5-pyrrol-1-yl-1,3-benzoxazole

C18H14N2O2 — CID 91674882

IUPAC2-(3-methoxyphenyl)-5-pyrrol-1-yl-1,3-benzoxazole
SMILESCOc1cccc(-c2nc3cc(-n4cccc4)ccc3o2)c1
InChIInChI=1S/C18H14N2O2/c1-21-15-6-4-5-13(11-15)18-19-16-12-14(7-8-17(16)22-18)20-9-2-3-10-20/h2-12H,1H3
InChIKeyAIGXESXAFPYXDQ-UHFFFAOYSA-N
MW290.32 g/mol
LogP4.29
Rot. Bonds3

About 2-(3-methoxyphenyl)-5-pyrrol-1-yl-1,3-benzoxazole

2-(3-methoxyphenyl)-5-pyrrol-1-yl-1,3-benzoxazole (PubChem CID 91674882) has the molecular formula C18H14N2O2 and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-5-pyrrol-1-yl-1,3-benzoxazole.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-5-pyrrol-1-yl-1,3-benzoxazole
PubChem CID91674882
Molecular FormulaC18H14N2O2
Molecular Weight290.32 g/mol
Exact Mass290.11
IUPAC Name2-(3-methoxyphenyl)-5-pyrrol-1-yl-1,3-benzoxazole
SMILESCOc1cccc(-c2nc3cc(-n4cccc4)ccc3o2)c1
InChIInChI=1S/C18H14N2O2/c1-21-15-6-4-5-13(11-15)18-19-16-12-14(7-8-17(16)22-18)20-9-2-3-10-20/h2-12H,1H3
InChIKeyAIGXESXAFPYXDQ-UHFFFAOYSA-N
XLogP4.29
TPSA40.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(3-methoxyphenyl)-5-pyrrol-1-yl-1,3-benzoxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-bromo-4-methoxyphenyl)-5-pyrrol-1-yl-1,3-benzoxazole
CID 91674889
5-chloro-2-(3-pyrrol-1-ylphenyl)-1,3-benzoxazole
CID 91677456
2-[[[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]amino]methylidene]propanedinitrile
CID 168544300
2-[[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]iminomethyl]phenol
CID 683653
prop-2-enyl 2-(3-methoxyphenyl)-1,3-benzoxazole-5-carboxylate
CID 91681366
N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]-4-methylbenzenesulfonamide
CID 17092623
2-(4-methoxyphenoxy)-N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 17092669
5-pyrrol-1-yl-1,3-benzoxazol-2-amine
CID 175957420
N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]-2-phenoxyacetamide
CID 17092656
N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]-5-phenylfuran-2-carboxamide
CID 17092650
6-methoxy-2-(3-methylphenyl)-1,3-benzoxazole
CID 135041335
2-(2,4-dichlorophenyl)-5-pyrrol-1-yl-1,3-benzoxazole
CID 91674929

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-5-pyrrol-1-yl-1,3-benzoxazole?
The IUPAC name of 2-(3-methoxyphenyl)-5-pyrrol-1-yl-1,3-benzoxazole (CID 91674882) is 2-(3-methoxyphenyl)-5-pyrrol-1-yl-1,3-benzoxazole.
What is the SMILES notation for 2-(3-methoxyphenyl)-5-pyrrol-1-yl-1,3-benzoxazole?
The canonical SMILES for 2-(3-methoxyphenyl)-5-pyrrol-1-yl-1,3-benzoxazole is COc1cccc(-c2nc3cc(-n4cccc4)ccc3o2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-5-pyrrol-1-yl-1,3-benzoxazole?
The InChIKey is AIGXESXAFPYXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O2/c1-21-15-6-4-5-13(11-15)18-19-16-12-14(7-8-17(16)22-18)20-9-2-3-10-20/h2-12H,1H3.
What are the key properties of 2-(3-methoxyphenyl)-5-pyrrol-1-yl-1,3-benzoxazole?
2-(3-methoxyphenyl)-5-pyrrol-1-yl-1,3-benzoxazole has a molecular weight of 290.32 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-5-pyrrol-1-yl-1,3-benzoxazole is sourced from PubChem (CID 91674882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).