(4S)-3-cyclopentyl-4-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide

C19H20F3N3O2 — CID 150559761

IUPAC(4S)-3-cyclopentyl-4-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide
SMILESC[C@H]1c2c(noc2C2CCCC2)CCN1C(=O)Nc1cc(F)c(F)c(F)c1
InChIInChI=1S/C19H20F3N3O2/c1-10-16-15(24-27-18(16)11-4-2-3-5-11)6-7-25(10)19(26)23-12-8-13(20)17(22)14(21)9-12/h8-11H,2-7H2,1H3,(H,23,26)/t10-/m0/s1
InChIKeyIJPFFWANXHQEAV-JTQLQIEISA-N
MW379.38 g/mol
LogP4.90
Rot. Bonds2

About (4S)-3-cyclopentyl-4-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide

(4S)-3-cyclopentyl-4-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 150559761) has the molecular formula C19H20F3N3O2 and a molecular weight of 379.38 g/mol. Its IUPAC name is (4S)-3-cyclopentyl-4-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name(4S)-3-cyclopentyl-4-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide
PubChem CID150559761
Molecular FormulaC19H20F3N3O2
Molecular Weight379.38 g/mol
Exact Mass379.15
IUPAC Name(4S)-3-cyclopentyl-4-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide
SMILESC[C@H]1c2c(noc2C2CCCC2)CCN1C(=O)Nc1cc(F)c(F)c(F)c1
InChIInChI=1S/C19H20F3N3O2/c1-10-16-15(24-27-18(16)11-4-2-3-5-11)6-7-25(10)19(26)23-12-8-13(20)17(22)14(21)9-12/h8-11H,2-7H2,1H3,(H,23,26)/t10-/m0/s1
InChIKeyIJPFFWANXHQEAV-JTQLQIEISA-N
XLogP4.90
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(4S)-4-methyl-3-(5-methyl-1,2-oxazol-3-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide
CID 142592276
(6S)-3-cyclopentyl-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide
CID 142592259
3-methyl-1-[(3,4,5-trifluorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 102782533
3-cyclopentyl-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 121483794
(6S)-3-(3-fluorophenyl)-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide
CID 142592291
N-(3,4,5-trifluorophenyl)morpholine-4-carboxamide
CID 115646656
(6S)-6-methyl-3-(1,2-thiazol-4-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide
CID 147410930
(6S)-6-methyl-3-(1,3-thiazol-4-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide
CID 155131327
(2S)-N-(4-fluorophenyl)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 94035214
(6S)-3-(3-methoxyphenyl)-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide
CID 142592266
(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-fluoro-4-methylphenyl)pyrrolidine-1-carboxamide
CID 92894271
N-(2,4-difluorophenyl)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 53009661

Frequently Asked Questions

What is the IUPAC name of (4S)-3-cyclopentyl-4-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide?
The IUPAC name of (4S)-3-cyclopentyl-4-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide (CID 150559761) is (4S)-3-cyclopentyl-4-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide.
What is the SMILES notation for (4S)-3-cyclopentyl-4-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide?
The canonical SMILES for (4S)-3-cyclopentyl-4-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide is C[C@H]1c2c(noc2C2CCCC2)CCN1C(=O)Nc1cc(F)c(F)c(F)c1.
What is the InChIKey of (4S)-3-cyclopentyl-4-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide?
The InChIKey is IJPFFWANXHQEAV-JTQLQIEISA-N. The full InChI is InChI=1S/C19H20F3N3O2/c1-10-16-15(24-27-18(16)11-4-2-3-5-11)6-7-25(10)19(26)23-12-8-13(20)17(22)14(21)9-12/h8-11H,2-7H2,1H3,(H,23,26)/t10-/m0/s1.
What are the key properties of (4S)-3-cyclopentyl-4-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide?
(4S)-3-cyclopentyl-4-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 379.38 g/mol, XLogP of 4.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-cyclopentyl-4-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 150559761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).