(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

C18H15F3N4O3 — CID 142592276

IUPAC(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
SMILESCc1cc(-c2onc3c2[C@H](C)N(C(=O)Nc2cc(F)c(F)c(F)c2)CC3)no1
InChIInChI=1S/C18H15F3N4O3/c1-8-5-14(24-27-8)17-15-9(2)25(4-3-13(15)23-28-17)18(26)22-10-6-11(19)16(21)12(20)7-10/h5-7,9H,3-4H2,1-2H3,(H,22,26)/t9-/m0/s1
InChIKeyVWQNYYJOLNMUOB-VIFPVBQESA-N
MW392.34 g/mol
LogP4.21
Rot. Bonds2

About (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

(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 (PubChem CID 142592276) has the molecular formula C18H15F3N4O3 and a molecular weight of 392.34 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID142592276
Molecular FormulaC18H15F3N4O3
Molecular Weight392.34 g/mol
Exact Mass392.11
IUPAC Name(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
SMILESCc1cc(-c2onc3c2[C@H](C)N(C(=O)Nc2cc(F)c(F)c(F)c2)CC3)no1
InChIInChI=1S/C18H15F3N4O3/c1-8-5-14(24-27-8)17-15-9(2)25(4-3-13(15)23-28-17)18(26)22-10-6-11(19)16(21)12(20)7-10/h5-7,9H,3-4H2,1-2H3,(H,22,26)/t9-/m0/s1
InChIKeyVWQNYYJOLNMUOB-VIFPVBQESA-N
XLogP4.21
TPSA84.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.34
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (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 with MolForge

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Related Compounds

(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
(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
(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
(2S)-N-(4-fluorophenyl)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 94035214
(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)-3-cyclopentyl-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide
CID 142592259
(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
3-methyl-1-[(3,4,5-trifluorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 102782533
N-(2,4-difluorophenyl)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 53009661
N-(3,4-difluoro-5-methylphenyl)-3-(3-methoxyphenyl)-6-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxamide
CID 157396435
N-(3,4-difluorophenyl)-2-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]acetamide
CID 35244187
2-(5-methyl-1,2-oxazol-3-yl)-N-(4-methyl-2-oxochromen-7-yl)piperidine-1-carboxamide
CID 118784987

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is Cc1cc(-c2onc3c2[C@H](C)N(C(=O)Nc2cc(F)c(F)c(F)c2)CC3)no1.
What is the InChIKey of (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?
The InChIKey is VWQNYYJOLNMUOB-VIFPVBQESA-N. The full InChI is InChI=1S/C18H15F3N4O3/c1-8-5-14(24-27-8)17-15-9(2)25(4-3-13(15)23-28-17)18(26)22-10-6-11(19)16(21)12(20)7-10/h5-7,9H,3-4H2,1-2H3,(H,22,26)/t9-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 392.34 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 142592276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).