N-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]-N,3-dimethyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C24H19F2N5O2 — CID 39975781

IUPACN-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]-N,3-dimethyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1noc2nc(-c3ccccc3)cc(C(=O)N(C)Cc3nc4ccccc4n3C(F)F)c12
InChIInChI=1S/C24H19F2N5O2/c1-14-21-16(12-18(28-22(21)33-29-14)15-8-4-3-5-9-15)23(32)30(2)13-20-27-17-10-6-7-11-19(17)31(20)24(25)26/h3-12,24H,13H2,1-2H3
InChIKeyQQLHLENCOJRZPL-UHFFFAOYSA-N
MW447.45 g/mol
LogP5.22
Rot. Bonds5

About N-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]-N,3-dimethyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

N-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]-N,3-dimethyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 39975781) has the molecular formula C24H19F2N5O2 and a molecular weight of 447.45 g/mol. Its IUPAC name is N-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]-N,3-dimethyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]-N,3-dimethyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID39975781
Molecular FormulaC24H19F2N5O2
Molecular Weight447.45 g/mol
Exact Mass447.15
IUPAC NameN-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]-N,3-dimethyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1noc2nc(-c3ccccc3)cc(C(=O)N(C)Cc3nc4ccccc4n3C(F)F)c12
InChIInChI=1S/C24H19F2N5O2/c1-14-21-16(12-18(28-22(21)33-29-14)15-8-4-3-5-9-15)23(32)30(2)13-20-27-17-10-6-7-11-19(17)31(20)24(25)26/h3-12,24H,13H2,1-2H3
InChIKeyQQLHLENCOJRZPL-UHFFFAOYSA-N
XLogP5.22
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.45
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]-N,3-dimethyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]-N,3-dimethyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 39975781) is N-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]-N,3-dimethyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]-N,3-dimethyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]-N,3-dimethyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1noc2nc(-c3ccccc3)cc(C(=O)N(C)Cc3nc4ccccc4n3C(F)F)c12.
What is the InChIKey of N-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]-N,3-dimethyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is QQLHLENCOJRZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F2N5O2/c1-14-21-16(12-18(28-22(21)33-29-14)15-8-4-3-5-9-15)23(32)30(2)13-20-27-17-10-6-7-11-19(17)31(20)24(25)26/h3-12,24H,13H2,1-2H3.
What are the key properties of N-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]-N,3-dimethyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
N-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]-N,3-dimethyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 447.45 g/mol, XLogP of 5.22, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]-N,3-dimethyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 39975781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).