[3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1H-pyrrolo[3,2-c]pyridin-4-yl]phenyl]methanol

C20H19N3O2 — CID 134807940

IUPAC[3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1H-pyrrolo[3,2-c]pyridin-4-yl]phenyl]methanol
SMILESCc1cc2c(-c3cccc(CO)c3)nc(-c3c(C)noc3C)cc2[nH]1
InChIInChI=1S/C20H19N3O2/c1-11-7-16-17(21-11)9-18(19-12(2)23-25-13(19)3)22-20(16)15-6-4-5-14(8-15)10-24/h4-9,21,24H,10H2,1-3H3
InChIKeyIRLMBBLPNOOCDY-UHFFFAOYSA-N
MW333.39 g/mol
LogP4.30
Rot. Bonds3

About [3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1H-pyrrolo[3,2-c]pyridin-4-yl]phenyl]methanol

[3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1H-pyrrolo[3,2-c]pyridin-4-yl]phenyl]methanol (PubChem CID 134807940) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is [3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1H-pyrrolo[3,2-c]pyridin-4-yl]phenyl]methanol.

Molecular Properties

Compound Name[3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1H-pyrrolo[3,2-c]pyridin-4-yl]phenyl]methanol
PubChem CID134807940
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name[3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1H-pyrrolo[3,2-c]pyridin-4-yl]phenyl]methanol
SMILESCc1cc2c(-c3cccc(CO)c3)nc(-c3c(C)noc3C)cc2[nH]1
InChIInChI=1S/C20H19N3O2/c1-11-7-16-17(21-11)9-18(19-12(2)23-25-13(19)3)22-20(16)15-6-4-5-14(8-15)10-24/h4-9,21,24H,10H2,1-3H3
InChIKeyIRLMBBLPNOOCDY-UHFFFAOYSA-N
XLogP4.30
TPSA74.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1H-pyrrolo[3,2-c]pyridin-4-yl]phenyl]methanol?
The IUPAC name of [3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1H-pyrrolo[3,2-c]pyridin-4-yl]phenyl]methanol (CID 134807940) is [3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1H-pyrrolo[3,2-c]pyridin-4-yl]phenyl]methanol.
What is the SMILES notation for [3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1H-pyrrolo[3,2-c]pyridin-4-yl]phenyl]methanol?
The canonical SMILES for [3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1H-pyrrolo[3,2-c]pyridin-4-yl]phenyl]methanol is Cc1cc2c(-c3cccc(CO)c3)nc(-c3c(C)noc3C)cc2[nH]1.
What is the InChIKey of [3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1H-pyrrolo[3,2-c]pyridin-4-yl]phenyl]methanol?
The InChIKey is IRLMBBLPNOOCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-11-7-16-17(21-11)9-18(19-12(2)23-25-13(19)3)22-20(16)15-6-4-5-14(8-15)10-24/h4-9,21,24H,10H2,1-3H3.
What are the key properties of [3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1H-pyrrolo[3,2-c]pyridin-4-yl]phenyl]methanol?
[3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1H-pyrrolo[3,2-c]pyridin-4-yl]phenyl]methanol has a molecular weight of 333.39 g/mol, XLogP of 4.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1H-pyrrolo[3,2-c]pyridin-4-yl]phenyl]methanol is sourced from PubChem (CID 134807940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).