3,6-dimethyl-N-[(1R)-3,3,3-trifluoro-1-phenylpropyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C18H16F3N3O2 — CID 94631328

IUPAC3,6-dimethyl-N-[(1R)-3,3,3-trifluoro-1-phenylpropyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)N[C@H](CC(F)(F)F)c2ccccc2)c2c(C)noc2n1
InChIInChI=1S/C18H16F3N3O2/c1-10-8-13(15-11(2)24-26-17(15)22-10)16(25)23-14(9-18(19,20)21)12-6-4-3-5-7-12/h3-8,14H,9H2,1-2H3,(H,23,25)/t14-/m1/s1
InChIKeyGJDJXUOTJXPUFN-CQSZACIVSA-N
MW363.34 g/mol
LogP4.26
Rot. Bonds4

About 3,6-dimethyl-N-[(1R)-3,3,3-trifluoro-1-phenylpropyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

3,6-dimethyl-N-[(1R)-3,3,3-trifluoro-1-phenylpropyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 94631328) has the molecular formula C18H16F3N3O2 and a molecular weight of 363.34 g/mol. Its IUPAC name is 3,6-dimethyl-N-[(1R)-3,3,3-trifluoro-1-phenylpropyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name3,6-dimethyl-N-[(1R)-3,3,3-trifluoro-1-phenylpropyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID94631328
Molecular FormulaC18H16F3N3O2
Molecular Weight363.34 g/mol
Exact Mass363.12
IUPAC Name3,6-dimethyl-N-[(1R)-3,3,3-trifluoro-1-phenylpropyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)N[C@H](CC(F)(F)F)c2ccccc2)c2c(C)noc2n1
InChIInChI=1S/C18H16F3N3O2/c1-10-8-13(15-11(2)24-26-17(15)22-10)16(25)23-14(9-18(19,20)21)12-6-4-3-5-7-12/h3-8,14H,9H2,1-2H3,(H,23,25)/t14-/m1/s1
InChIKeyGJDJXUOTJXPUFN-CQSZACIVSA-N
XLogP4.26
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.34
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3,6-dimethyl-N-[(1R)-3,3,3-trifluoro-1-phenylpropyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide with MolForge

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Related Compounds

3,6-dimethyl-N-[(1R)-3-morpholin-4-yl-1-phenylpropyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 92626658
methyl (2R)-2-[(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-3-phenylpropanoate
CID 95394881
3-(3,4-dimethoxyphenyl)-3-[(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]propanoic acid
CID 119135699
(2R)-2-[(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methylpentanoic acid
CID 119363650
(2R)-2-[(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-4-hydroxybutanoic acid
CID 107822981
N-[(2R)-1-hydroxybutan-2-yl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 103919940
N-tert-butyl-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 51302068
methyl 3-[[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]-3-phenylpropanoate
CID 18133291
N-(1-hydroxy-3-methylpentan-2-yl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 171148123
N-[(2S)-4-(furan-2-yl)butan-2-yl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 51853074
N-[1-(4-ethoxyphenyl)ethyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 42930094
3-[(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methylbutanoic acid
CID 64670553

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-N-[(1R)-3,3,3-trifluoro-1-phenylpropyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 3,6-dimethyl-N-[(1R)-3,3,3-trifluoro-1-phenylpropyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 94631328) is 3,6-dimethyl-N-[(1R)-3,3,3-trifluoro-1-phenylpropyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 3,6-dimethyl-N-[(1R)-3,3,3-trifluoro-1-phenylpropyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 3,6-dimethyl-N-[(1R)-3,3,3-trifluoro-1-phenylpropyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1cc(C(=O)N[C@H](CC(F)(F)F)c2ccccc2)c2c(C)noc2n1.
What is the InChIKey of 3,6-dimethyl-N-[(1R)-3,3,3-trifluoro-1-phenylpropyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is GJDJXUOTJXPUFN-CQSZACIVSA-N. The full InChI is InChI=1S/C18H16F3N3O2/c1-10-8-13(15-11(2)24-26-17(15)22-10)16(25)23-14(9-18(19,20)21)12-6-4-3-5-7-12/h3-8,14H,9H2,1-2H3,(H,23,25)/t14-/m1/s1.
What are the key properties of 3,6-dimethyl-N-[(1R)-3,3,3-trifluoro-1-phenylpropyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
3,6-dimethyl-N-[(1R)-3,3,3-trifluoro-1-phenylpropyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 363.34 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-N-[(1R)-3,3,3-trifluoro-1-phenylpropyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 94631328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).