[2-methyl-5-(2-methyl-1,3-benzoxazol-5-yl)-1H-pyrrol-3-yl]methanol

C14H14N2O2 — CID 116828786

IUPAC[2-methyl-5-(2-methyl-1,3-benzoxazol-5-yl)-1H-pyrrol-3-yl]methanol
SMILESCc1nc2cc(-c3cc(CO)c(C)[nH]3)ccc2o1
InChIInChI=1S/C14H14N2O2/c1-8-11(7-17)6-12(15-8)10-3-4-14-13(5-10)16-9(2)18-14/h3-6,15,17H,7H2,1-2H3
InChIKeyXQEAOEQIVCGSQM-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.93
Rot. Bonds2

About [2-methyl-5-(2-methyl-1,3-benzoxazol-5-yl)-1H-pyrrol-3-yl]methanol

[2-methyl-5-(2-methyl-1,3-benzoxazol-5-yl)-1H-pyrrol-3-yl]methanol (PubChem CID 116828786) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is [2-methyl-5-(2-methyl-1,3-benzoxazol-5-yl)-1H-pyrrol-3-yl]methanol.

Molecular Properties

Compound Name[2-methyl-5-(2-methyl-1,3-benzoxazol-5-yl)-1H-pyrrol-3-yl]methanol
PubChem CID116828786
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name[2-methyl-5-(2-methyl-1,3-benzoxazol-5-yl)-1H-pyrrol-3-yl]methanol
SMILESCc1nc2cc(-c3cc(CO)c(C)[nH]3)ccc2o1
InChIInChI=1S/C14H14N2O2/c1-8-11(7-17)6-12(15-8)10-3-4-14-13(5-10)16-9(2)18-14/h3-6,15,17H,7H2,1-2H3
InChIKeyXQEAOEQIVCGSQM-UHFFFAOYSA-N
XLogP2.93
TPSA62.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-methyl-5-(2-methyl-1,3-benzoxazol-5-yl)-1H-pyrrol-3-yl]methanol?
The IUPAC name of [2-methyl-5-(2-methyl-1,3-benzoxazol-5-yl)-1H-pyrrol-3-yl]methanol (CID 116828786) is [2-methyl-5-(2-methyl-1,3-benzoxazol-5-yl)-1H-pyrrol-3-yl]methanol.
What is the SMILES notation for [2-methyl-5-(2-methyl-1,3-benzoxazol-5-yl)-1H-pyrrol-3-yl]methanol?
The canonical SMILES for [2-methyl-5-(2-methyl-1,3-benzoxazol-5-yl)-1H-pyrrol-3-yl]methanol is Cc1nc2cc(-c3cc(CO)c(C)[nH]3)ccc2o1.
What is the InChIKey of [2-methyl-5-(2-methyl-1,3-benzoxazol-5-yl)-1H-pyrrol-3-yl]methanol?
The InChIKey is XQEAOEQIVCGSQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-8-11(7-17)6-12(15-8)10-3-4-14-13(5-10)16-9(2)18-14/h3-6,15,17H,7H2,1-2H3.
What are the key properties of [2-methyl-5-(2-methyl-1,3-benzoxazol-5-yl)-1H-pyrrol-3-yl]methanol?
[2-methyl-5-(2-methyl-1,3-benzoxazol-5-yl)-1H-pyrrol-3-yl]methanol has a molecular weight of 242.28 g/mol, XLogP of 2.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-5-(2-methyl-1,3-benzoxazol-5-yl)-1H-pyrrol-3-yl]methanol is sourced from PubChem (CID 116828786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).