7-methyl-2-(4-methylphenyl)-5-pyrrol-1-yl-1,3-benzoxazole

C19H16N2O — CID 91674847

IUPAC7-methyl-2-(4-methylphenyl)-5-pyrrol-1-yl-1,3-benzoxazole
SMILESCc1ccc(-c2nc3cc(-n4cccc4)cc(C)c3o2)cc1
InChIInChI=1S/C19H16N2O/c1-13-5-7-15(8-6-13)19-20-17-12-16(21-9-3-4-10-21)11-14(2)18(17)22-19/h3-12H,1-2H3
InChIKeyODZOPLHHKOAQRF-UHFFFAOYSA-N
MW288.35 g/mol
LogP4.90
Rot. Bonds2

About 7-methyl-2-(4-methylphenyl)-5-pyrrol-1-yl-1,3-benzoxazole

7-methyl-2-(4-methylphenyl)-5-pyrrol-1-yl-1,3-benzoxazole (PubChem CID 91674847) has the molecular formula C19H16N2O and a molecular weight of 288.35 g/mol. Its IUPAC name is 7-methyl-2-(4-methylphenyl)-5-pyrrol-1-yl-1,3-benzoxazole.

Molecular Properties

Compound Name7-methyl-2-(4-methylphenyl)-5-pyrrol-1-yl-1,3-benzoxazole
PubChem CID91674847
Molecular FormulaC19H16N2O
Molecular Weight288.35 g/mol
Exact Mass288.13
IUPAC Name7-methyl-2-(4-methylphenyl)-5-pyrrol-1-yl-1,3-benzoxazole
SMILESCc1ccc(-c2nc3cc(-n4cccc4)cc(C)c3o2)cc1
InChIInChI=1S/C19H16N2O/c1-13-5-7-15(8-6-13)19-20-17-12-16(21-9-3-4-10-21)11-14(2)18(17)22-19/h3-12H,1-2H3
InChIKeyODZOPLHHKOAQRF-UHFFFAOYSA-N
XLogP4.90
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-(4-methylphenyl)-5-pyrrol-1-yl-1,3-benzoxazole?
The IUPAC name of 7-methyl-2-(4-methylphenyl)-5-pyrrol-1-yl-1,3-benzoxazole (CID 91674847) is 7-methyl-2-(4-methylphenyl)-5-pyrrol-1-yl-1,3-benzoxazole.
What is the SMILES notation for 7-methyl-2-(4-methylphenyl)-5-pyrrol-1-yl-1,3-benzoxazole?
The canonical SMILES for 7-methyl-2-(4-methylphenyl)-5-pyrrol-1-yl-1,3-benzoxazole is Cc1ccc(-c2nc3cc(-n4cccc4)cc(C)c3o2)cc1.
What is the InChIKey of 7-methyl-2-(4-methylphenyl)-5-pyrrol-1-yl-1,3-benzoxazole?
The InChIKey is ODZOPLHHKOAQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O/c1-13-5-7-15(8-6-13)19-20-17-12-16(21-9-3-4-10-21)11-14(2)18(17)22-19/h3-12H,1-2H3.
What are the key properties of 7-methyl-2-(4-methylphenyl)-5-pyrrol-1-yl-1,3-benzoxazole?
7-methyl-2-(4-methylphenyl)-5-pyrrol-1-yl-1,3-benzoxazole has a molecular weight of 288.35 g/mol, XLogP of 4.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-(4-methylphenyl)-5-pyrrol-1-yl-1,3-benzoxazole is sourced from PubChem (CID 91674847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).