4-[4-(2-fluorophenyl)-2-methyl-1H-pyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole

C19H16FN3O — CID 134805123

IUPAC4-[4-(2-fluorophenyl)-2-methyl-1H-pyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole
SMILESCc1cc2c(-c3ccccc3F)nc(-c3c(C)noc3C)cc2[nH]1
InChIInChI=1S/C19H16FN3O/c1-10-8-14-16(21-10)9-17(18-11(2)23-24-12(18)3)22-19(14)13-6-4-5-7-15(13)20/h4-9,21H,1-3H3
InChIKeyFSCXAWVXWVRHCW-UHFFFAOYSA-N
MW321.36 g/mol
LogP4.95
Rot. Bonds2

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

4-[4-(2-fluorophenyl)-2-methyl-1H-pyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 134805123) has the molecular formula C19H16FN3O and a molecular weight of 321.36 g/mol. Its IUPAC name is 4-[4-(2-fluorophenyl)-2-methyl-1H-pyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[4-(2-fluorophenyl)-2-methyl-1H-pyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole
PubChem CID134805123
Molecular FormulaC19H16FN3O
Molecular Weight321.36 g/mol
Exact Mass321.13
IUPAC Name4-[4-(2-fluorophenyl)-2-methyl-1H-pyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole
SMILESCc1cc2c(-c3ccccc3F)nc(-c3c(C)noc3C)cc2[nH]1
InChIInChI=1S/C19H16FN3O/c1-10-8-14-16(21-10)9-17(18-11(2)23-24-12(18)3)22-19(14)13-6-4-5-7-15(13)20/h4-9,21H,1-3H3
InChIKeyFSCXAWVXWVRHCW-UHFFFAOYSA-N
XLogP4.95
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-fluorophenyl)-2-methyl-1H-pyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[4-(2-fluorophenyl)-2-methyl-1H-pyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole (CID 134805123) is 4-[4-(2-fluorophenyl)-2-methyl-1H-pyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[4-(2-fluorophenyl)-2-methyl-1H-pyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[4-(2-fluorophenyl)-2-methyl-1H-pyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole is Cc1cc2c(-c3ccccc3F)nc(-c3c(C)noc3C)cc2[nH]1.
What is the InChIKey of 4-[4-(2-fluorophenyl)-2-methyl-1H-pyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is FSCXAWVXWVRHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O/c1-10-8-14-16(21-10)9-17(18-11(2)23-24-12(18)3)22-19(14)13-6-4-5-7-15(13)20/h4-9,21H,1-3H3.
What are the key properties of 4-[4-(2-fluorophenyl)-2-methyl-1H-pyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole?
4-[4-(2-fluorophenyl)-2-methyl-1H-pyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 321.36 g/mol, XLogP of 4.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-fluorophenyl)-2-methyl-1H-pyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 134805123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).