(2R)-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide

C12H13F2N5O2S — CID 95193932

IUPAC(2R)-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
SMILESCc1cc([C@H]2CCCN2C(=O)Nc2nnc(C(F)F)s2)no1
InChIInChI=1S/C12H13F2N5O2S/c1-6-5-7(18-21-6)8-3-2-4-19(8)12(20)15-11-17-16-10(22-11)9(13)14/h5,8-9H,2-4H2,1H3,(H,15,17,20)/t8-/m1/s1
InChIKeySALCFFZNXPYDTM-MRVPVSSYSA-N
MW329.33 g/mol
LogP3.14
Rot. Bonds3

About (2R)-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide

(2R)-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide (PubChem CID 95193932) has the molecular formula C12H13F2N5O2S and a molecular weight of 329.33 g/mol. Its IUPAC name is (2R)-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
PubChem CID95193932
Molecular FormulaC12H13F2N5O2S
Molecular Weight329.33 g/mol
Exact Mass329.08
IUPAC Name(2R)-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
SMILESCc1cc([C@H]2CCCN2C(=O)Nc2nnc(C(F)F)s2)no1
InChIInChI=1S/C12H13F2N5O2S/c1-6-5-7(18-21-6)8-3-2-4-19(8)12(20)15-11-17-16-10(22-11)9(13)14/h5,8-9H,2-4H2,1H3,(H,15,17,20)/t8-/m1/s1
InChIKeySALCFFZNXPYDTM-MRVPVSSYSA-N
XLogP3.14
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-(3-methyl-1,2-oxazol-5-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxamide
CID 94031787
(2S)-N-(4-fluorophenyl)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 94035214
N-(2,4-difluorophenyl)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 53009661
(2R)-N-cyclohexyl-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 93070285
cyclopentyl-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 53017082
N-(1,3-benzodioxol-5-yl)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 50946008
(2S,4S)-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-(furan-2-yl)-4-methylpiperidine-1-carboxamide
CID 99705566
cyclohexyl-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 94002505
cyclohexyl-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 94002506
methyl 4-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]benzoate
CID 38349038
(5-ethylthiophen-2-yl)-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 94002545
(2S)-N-[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 99774122

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide (CID 95193932) is (2R)-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide is Cc1cc([C@H]2CCCN2C(=O)Nc2nnc(C(F)F)s2)no1.
What is the InChIKey of (2R)-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide?
The InChIKey is SALCFFZNXPYDTM-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H13F2N5O2S/c1-6-5-7(18-21-6)8-3-2-4-19(8)12(20)15-11-17-16-10(22-11)9(13)14/h5,8-9H,2-4H2,1H3,(H,15,17,20)/t8-/m1/s1.
What are the key properties of (2R)-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide?
(2R)-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide has a molecular weight of 329.33 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 95193932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).