3-(2,2-dimethylpropyl)-N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide

C19H24F3N3O2 — CID 97006085

IUPAC3-(2,2-dimethylpropyl)-N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
SMILESCC(C)(C)Cc1noc2ncc(C(=O)N[C@H]3CCC[C@H](C(F)(F)F)C3)cc12
InChIInChI=1S/C19H24F3N3O2/c1-18(2,3)9-15-14-7-11(10-23-17(14)27-25-15)16(26)24-13-6-4-5-12(8-13)19(20,21)22/h7,10,12-13H,4-6,8-9H2,1-3H3,(H,24,26)/t12-,13-/m0/s1
InChIKeyYWBWDVVQVWMCNC-STQMWFEESA-N
MW383.41 g/mol
LogP4.66
Rot. Bonds3

About 3-(2,2-dimethylpropyl)-N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide

3-(2,2-dimethylpropyl)-N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide (PubChem CID 97006085) has the molecular formula C19H24F3N3O2 and a molecular weight of 383.41 g/mol. Its IUPAC name is 3-(2,2-dimethylpropyl)-N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name3-(2,2-dimethylpropyl)-N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
PubChem CID97006085
Molecular FormulaC19H24F3N3O2
Molecular Weight383.41 g/mol
Exact Mass383.18
IUPAC Name3-(2,2-dimethylpropyl)-N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
SMILESCC(C)(C)Cc1noc2ncc(C(=O)N[C@H]3CCC[C@H](C(F)(F)F)C3)cc12
InChIInChI=1S/C19H24F3N3O2/c1-18(2,3)9-15-14-7-11(10-23-17(14)27-25-15)16(26)24-13-6-4-5-12(8-13)19(20,21)22/h7,10,12-13H,4-6,8-9H2,1-3H3,(H,24,26)/t12-,13-/m0/s1
InChIKeyYWBWDVVQVWMCNC-STQMWFEESA-N
XLogP4.66
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(2,2-dimethylpropyl)-N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide with MolForge

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Related Compounds

3-(2,2-dimethylpropyl)-N-methylsulfonyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 47975473
3-ethyl-N-(2-methylpiperidin-4-yl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 120597922
3,4,5-trimethoxy-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]benzamide
CID 7120710
N-[2-(aminomethyl)cyclopentyl]-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide;hydrochloride
CID 119600860
5-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]carbamoyl]pyridine-2-carboxylic acid
CID 124702553
N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]pyridine-4-carboxamide
CID 764833
4-azatricyclo[4.3.1.13,8]undecan-4-yl-[3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-5-yl]methanone
CID 71883521
4-[[(1R,3S)-3-(trifluoromethyl)cyclohexyl]carbamoyl]benzoic acid
CID 124702556
4-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]carbamoyl]benzoic acid
CID 124702550
1-cyclopropyl-2,4-dioxo-N-[3-(trifluoromethyl)cyclohexyl]pyrido[2,3-d]pyrimidine-6-carboxamide
CID 55553880
4-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]furan-2,4-dicarboxamide
CID 99783439
N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]quinoxaline-6-carboxamide
CID 97185005

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropyl)-N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
The IUPAC name of 3-(2,2-dimethylpropyl)-N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide (CID 97006085) is 3-(2,2-dimethylpropyl)-N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 3-(2,2-dimethylpropyl)-N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
The canonical SMILES for 3-(2,2-dimethylpropyl)-N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide is CC(C)(C)Cc1noc2ncc(C(=O)N[C@H]3CCC[C@H](C(F)(F)F)C3)cc12.
What is the InChIKey of 3-(2,2-dimethylpropyl)-N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
The InChIKey is YWBWDVVQVWMCNC-STQMWFEESA-N. The full InChI is InChI=1S/C19H24F3N3O2/c1-18(2,3)9-15-14-7-11(10-23-17(14)27-25-15)16(26)24-13-6-4-5-12(8-13)19(20,21)22/h7,10,12-13H,4-6,8-9H2,1-3H3,(H,24,26)/t12-,13-/m0/s1.
What are the key properties of 3-(2,2-dimethylpropyl)-N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
3-(2,2-dimethylpropyl)-N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide has a molecular weight of 383.41 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropyl)-N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 97006085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).