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

C25H22N6O2 — CID 42930071

IUPACN,3-dimethyl-6-phenyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1noc2nc(-c3ccccc3)cc(C(=O)N(C)C(C)c3ccc(-n4cncn4)cc3)c12
InChIInChI=1S/C25H22N6O2/c1-16-23-21(13-22(28-24(23)33-29-16)19-7-5-4-6-8-19)25(32)30(3)17(2)18-9-11-20(12-10-18)31-15-26-14-27-31/h4-15,17H,1-3H3
InChIKeyQKKIZGOXVVXXOL-UHFFFAOYSA-N
MW438.49 g/mol
LogP4.61
Rot. Bonds5

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

N,3-dimethyl-6-phenyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 42930071) has the molecular formula C25H22N6O2 and a molecular weight of 438.49 g/mol. Its IUPAC name is N,3-dimethyl-6-phenyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN,3-dimethyl-6-phenyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID42930071
Molecular FormulaC25H22N6O2
Molecular Weight438.49 g/mol
Exact Mass438.18
IUPAC NameN,3-dimethyl-6-phenyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1noc2nc(-c3ccccc3)cc(C(=O)N(C)C(C)c3ccc(-n4cncn4)cc3)c12
InChIInChI=1S/C25H22N6O2/c1-16-23-21(13-22(28-24(23)33-29-16)19-7-5-4-6-8-19)25(32)30(3)17(2)18-9-11-20(12-10-18)31-15-26-14-27-31/h4-15,17H,1-3H3
InChIKeyQKKIZGOXVVXXOL-UHFFFAOYSA-N
XLogP4.61
TPSA89.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.49
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-N,3-dimethyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 39976233
N,2,5-trimethyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]furan-3-carboxamide
CID 78808654
N,3-dimethyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1,2-oxazole-5-carboxamide
CID 51207161
N-methyl-2-phenyl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1,3-thiazole-4-carboxamide
CID 26817104
6-(2-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 46696500
N,4-dimethyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 9470834
N-[1-(4-chlorophenyl)ethyl]-6-(furan-2-yl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 43057976
7-fluoro-N,2-dimethyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]quinoline-3-carboxamide
CID 46667228
4-chloro-2-iodo-N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 55686577
N-[(2S)-2-(dimethylamino)propyl]-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 97185405
N-methyl-2-nitro-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 33183818
3-[[dimethyl(phenyl)silyl]methyl]-1-methyl-1-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]urea
CID 124852726

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-6-phenyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N,3-dimethyl-6-phenyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 42930071) is N,3-dimethyl-6-phenyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N,3-dimethyl-6-phenyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N,3-dimethyl-6-phenyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1noc2nc(-c3ccccc3)cc(C(=O)N(C)C(C)c3ccc(-n4cncn4)cc3)c12.
What is the InChIKey of N,3-dimethyl-6-phenyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is QKKIZGOXVVXXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6O2/c1-16-23-21(13-22(28-24(23)33-29-16)19-7-5-4-6-8-19)25(32)30(3)17(2)18-9-11-20(12-10-18)31-15-26-14-27-31/h4-15,17H,1-3H3.
What are the key properties of N,3-dimethyl-6-phenyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
N,3-dimethyl-6-phenyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 438.49 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-6-phenyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 42930071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).