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

C14H19N5O2S — CID 94031787

IUPAC(2R)-2-(3-methyl-1,2-oxazol-5-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxamide
SMILESCc1cc([C@H]2CCCN2C(=O)Nc2nnc(C(C)C)s2)on1
InChIInChI=1S/C14H19N5O2S/c1-8(2)12-16-17-13(22-12)15-14(20)19-6-4-5-10(19)11-7-9(3)18-21-11/h7-8,10H,4-6H2,1-3H3,(H,15,17,20)/t10-/m1/s1
InChIKeyNMIFJIBDRMMQKG-SNVBAGLBSA-N
MW321.41 g/mol
LogP3.33
Rot. Bonds3

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

(2R)-2-(3-methyl-1,2-oxazol-5-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxamide (PubChem CID 94031787) has the molecular formula C14H19N5O2S and a molecular weight of 321.41 g/mol. Its IUPAC name is (2R)-2-(3-methyl-1,2-oxazol-5-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-2-(3-methyl-1,2-oxazol-5-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxamide
PubChem CID94031787
Molecular FormulaC14H19N5O2S
Molecular Weight321.41 g/mol
Exact Mass321.13
IUPAC Name(2R)-2-(3-methyl-1,2-oxazol-5-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxamide
SMILESCc1cc([C@H]2CCCN2C(=O)Nc2nnc(C(C)C)s2)on1
InChIInChI=1S/C14H19N5O2S/c1-8(2)12-16-17-13(22-12)15-14(20)19-6-4-5-10(19)11-7-9(3)18-21-11/h7-8,10H,4-6H2,1-3H3,(H,15,17,20)/t10-/m1/s1
InChIKeyNMIFJIBDRMMQKG-SNVBAGLBSA-N
XLogP3.33
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 95193932
(2S)-2-(3-methyl-1,2-oxazol-5-yl)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]pyrrolidine-1-carboxamide
CID 124839563
(2S)-N-(2-ethylphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
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CID 94138869
(2R)-N-(3-chloro-4-methylphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 94139024
(2R)-2-amino-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]propan-1-one;hydrochloride
CID 119112336
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CID 95976030
(2S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 93070340
N-(5-cyclopropyl-2-pyridinyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 136564263
N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 118793979
N-(1,3-benzodioxol-5-yl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 50947725
(2S)-N-[(5-ethylthiophen-2-yl)methyl]-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 94119106

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-methyl-1,2-oxazol-5-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxamide?
The IUPAC name of (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) is (2R)-2-(3-methyl-1,2-oxazol-5-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-2-(3-methyl-1,2-oxazol-5-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-2-(3-methyl-1,2-oxazol-5-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxamide is Cc1cc([C@H]2CCCN2C(=O)Nc2nnc(C(C)C)s2)on1.
What is the InChIKey of (2R)-2-(3-methyl-1,2-oxazol-5-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxamide?
The InChIKey is NMIFJIBDRMMQKG-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H19N5O2S/c1-8(2)12-16-17-13(22-12)15-14(20)19-6-4-5-10(19)11-7-9(3)18-21-11/h7-8,10H,4-6H2,1-3H3,(H,15,17,20)/t10-/m1/s1.
What are the key properties of (2R)-2-(3-methyl-1,2-oxazol-5-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxamide?
(2R)-2-(3-methyl-1,2-oxazol-5-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxamide has a molecular weight of 321.41 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-methyl-1,2-oxazol-5-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 94031787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).