3-cyclopropyl-4-(difluoromethyl)-6-(2-methoxyphenyl)-[1,2]oxazolo[5,4-b]pyridine

C17H14F2N2O2 — CID 29091552

IUPAC3-cyclopropyl-4-(difluoromethyl)-6-(2-methoxyphenyl)-[1,2]oxazolo[5,4-b]pyridine
SMILESCOc1ccccc1-c1cc(C(F)F)c2c(C3CC3)noc2n1
InChIInChI=1S/C17H14F2N2O2/c1-22-13-5-3-2-4-10(13)12-8-11(16(18)19)14-15(9-6-7-9)21-23-17(14)20-12/h2-5,8-9,16H,6-7H2,1H3
InChIKeyNTEADPIBFAUGEY-UHFFFAOYSA-N
MW316.31 g/mol
LogP4.71
Rot. Bonds4

About 3-cyclopropyl-4-(difluoromethyl)-6-(2-methoxyphenyl)-[1,2]oxazolo[5,4-b]pyridine

3-cyclopropyl-4-(difluoromethyl)-6-(2-methoxyphenyl)-[1,2]oxazolo[5,4-b]pyridine (PubChem CID 29091552) has the molecular formula C17H14F2N2O2 and a molecular weight of 316.31 g/mol. Its IUPAC name is 3-cyclopropyl-4-(difluoromethyl)-6-(2-methoxyphenyl)-[1,2]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name3-cyclopropyl-4-(difluoromethyl)-6-(2-methoxyphenyl)-[1,2]oxazolo[5,4-b]pyridine
PubChem CID29091552
Molecular FormulaC17H14F2N2O2
Molecular Weight316.31 g/mol
Exact Mass316.10
IUPAC Name3-cyclopropyl-4-(difluoromethyl)-6-(2-methoxyphenyl)-[1,2]oxazolo[5,4-b]pyridine
SMILESCOc1ccccc1-c1cc(C(F)F)c2c(C3CC3)noc2n1
InChIInChI=1S/C17H14F2N2O2/c1-22-13-5-3-2-4-10(13)12-8-11(16(18)19)14-15(9-6-7-9)21-23-17(14)20-12/h2-5,8-9,16H,6-7H2,1H3
InChIKeyNTEADPIBFAUGEY-UHFFFAOYSA-N
XLogP4.71
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(4-fluoro-2-methoxyphenyl)-2-methyl-1H-pyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole
CID 134806472
3-Methyl-6-phenyl-4-(trifluoromethyl)isoxazolo(5,4-B)pyridine
CID 2324446
6-cyclopropyl-3-methyl-N-[3-(trifluoromethyl)phenyl][1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 25980030
6-cyclopropyl-N-(2,5-dimethoxyphenyl)-3-methyl[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 25992474
N-(cyclopropylmethyl)-6-(4-methoxyphenyl)-3-pyrrolidin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 134788522
4-[4-(2-methoxyphenyl)-2-methyl-1H-pyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole
CID 134807915
6-(2-Furyl)-3-methyl-4-(trifluoromethyl)isoxazolo(5,4-B)pyridine
CID 24208925
Methyl 6-(4-fluorophenyl)-3-methylisoxazolo[5,4-b]pyridine-4-carboxylate
CID 9454189
Methyl 6-(4-methylphenyl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 9459641
6-cyclopropyl-N-[2-(difluoromethoxy)phenyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 17537496
N-(2,4-difluorophenyl)-6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 24246393
4-(difluoromethyl)-6-[1-(3,6-dihydro-2H-pyran-5-ylmethyl)piperidin-4-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine
CID 92599728

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-4-(difluoromethyl)-6-(2-methoxyphenyl)-[1,2]oxazolo[5,4-b]pyridine?
The IUPAC name of 3-cyclopropyl-4-(difluoromethyl)-6-(2-methoxyphenyl)-[1,2]oxazolo[5,4-b]pyridine (CID 29091552) is 3-cyclopropyl-4-(difluoromethyl)-6-(2-methoxyphenyl)-[1,2]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 3-cyclopropyl-4-(difluoromethyl)-6-(2-methoxyphenyl)-[1,2]oxazolo[5,4-b]pyridine?
The canonical SMILES for 3-cyclopropyl-4-(difluoromethyl)-6-(2-methoxyphenyl)-[1,2]oxazolo[5,4-b]pyridine is COc1ccccc1-c1cc(C(F)F)c2c(C3CC3)noc2n1.
What is the InChIKey of 3-cyclopropyl-4-(difluoromethyl)-6-(2-methoxyphenyl)-[1,2]oxazolo[5,4-b]pyridine?
The InChIKey is NTEADPIBFAUGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N2O2/c1-22-13-5-3-2-4-10(13)12-8-11(16(18)19)14-15(9-6-7-9)21-23-17(14)20-12/h2-5,8-9,16H,6-7H2,1H3.
What are the key properties of 3-cyclopropyl-4-(difluoromethyl)-6-(2-methoxyphenyl)-[1,2]oxazolo[5,4-b]pyridine?
3-cyclopropyl-4-(difluoromethyl)-6-(2-methoxyphenyl)-[1,2]oxazolo[5,4-b]pyridine has a molecular weight of 316.31 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-4-(difluoromethyl)-6-(2-methoxyphenyl)-[1,2]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 29091552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).