(5S)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

C15H13FN4O2S — CID 51940824

IUPAC(5S)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1nnc(C2CC2)s1)[C@@H]1CC(c2cccc(F)c2)=NO1
InChIInChI=1S/C15H13FN4O2S/c16-10-3-1-2-9(6-10)11-7-12(22-20-11)13(21)17-15-19-18-14(23-15)8-4-5-8/h1-3,6,8,12H,4-5,7H2,(H,17,19,21)/t12-/m0/s1
InChIKeyCQFGBEVTACIBEU-LBPRGKRZSA-N
MW332.36 g/mol
LogP2.69
Rot. Bonds4

About (5S)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

(5S)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 51940824) has the molecular formula C15H13FN4O2S and a molecular weight of 332.36 g/mol. Its IUPAC name is (5S)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name(5S)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID51940824
Molecular FormulaC15H13FN4O2S
Molecular Weight332.36 g/mol
Exact Mass332.07
IUPAC Name(5S)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1nnc(C2CC2)s1)[C@@H]1CC(c2cccc(F)c2)=NO1
InChIInChI=1S/C15H13FN4O2S/c16-10-3-1-2-9(6-10)11-7-12(22-20-11)13(21)17-15-19-18-14(23-15)8-4-5-8/h1-3,6,8,12H,4-5,7H2,(H,17,19,21)/t12-/m0/s1
InChIKeyCQFGBEVTACIBEU-LBPRGKRZSA-N
XLogP2.69
TPSA76.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(5R)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 51873737
(5S)-3-(3-fluorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 51940815
N-cyclohexyl-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 46427951
3-(3-fluorophenyl)-N-(4-phenyl-1,3-thiazol-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 43071660
3-(3-fluorophenyl)-N-(2-phenylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 43068940
N-(3-acetamidophenyl)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 43068886
N-(3-chloro-2-fluorophenyl)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 46427461
3-(3-fluorophenyl)-N-(5-methyl-2-pyridinyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 47028518
(5S)-N-(2-tert-butylpyrimidin-5-yl)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 95234586
3-(3-fluorophenyl)-N-(4-morpholin-4-ylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 43071663
N-(5-chloro-2-methylphenyl)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 46427536
3-(3-fluorophenyl)-N-(2-methylimidazo[1,2-a]pyridin-6-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 51132367

Frequently Asked Questions

What is the IUPAC name of (5S)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of (5S)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 51940824) is (5S)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for (5S)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for (5S)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is O=C(Nc1nnc(C2CC2)s1)[C@@H]1CC(c2cccc(F)c2)=NO1.
What is the InChIKey of (5S)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is CQFGBEVTACIBEU-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H13FN4O2S/c16-10-3-1-2-9(6-10)11-7-12(22-20-11)13(21)17-15-19-18-14(23-15)8-4-5-8/h1-3,6,8,12H,4-5,7H2,(H,17,19,21)/t12-/m0/s1.
What are the key properties of (5S)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
(5S)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 332.36 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 51940824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).