(2R)-N-carbamoyl-3-methyl-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]butanamide

C13H15N5O3S — CID 7879243

IUPAC(2R)-N-carbamoyl-3-methyl-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]butanamide
SMILESCC(C)[C@@H](Sc1nnc(-c2cccnc2)o1)C(=O)NC(N)=O
InChIInChI=1S/C13H15N5O3S/c1-7(2)9(10(19)16-12(14)20)22-13-18-17-11(21-13)8-4-3-5-15-6-8/h3-7,9H,1-2H3,(H3,14,16,19,20)/t9-/m1/s1
InChIKeyIEMPHDBIEMXFBX-SECBINFHSA-N
MW321.36 g/mol
LogP1.44
Rot. Bonds5

About (2R)-N-carbamoyl-3-methyl-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]butanamide

(2R)-N-carbamoyl-3-methyl-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]butanamide (PubChem CID 7879243) has the molecular formula C13H15N5O3S and a molecular weight of 321.36 g/mol. Its IUPAC name is (2R)-N-carbamoyl-3-methyl-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]butanamide.

Molecular Properties

Compound Name(2R)-N-carbamoyl-3-methyl-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]butanamide
PubChem CID7879243
Molecular FormulaC13H15N5O3S
Molecular Weight321.36 g/mol
Exact Mass321.09
IUPAC Name(2R)-N-carbamoyl-3-methyl-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]butanamide
SMILESCC(C)[C@@H](Sc1nnc(-c2cccnc2)o1)C(=O)NC(N)=O
InChIInChI=1S/C13H15N5O3S/c1-7(2)9(10(19)16-12(14)20)22-13-18-17-11(21-13)8-4-3-5-15-6-8/h3-7,9H,1-2H3,(H3,14,16,19,20)/t9-/m1/s1
InChIKeyIEMPHDBIEMXFBX-SECBINFHSA-N
XLogP1.44
TPSA124.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (2R)-N-carbamoyl-3-methyl-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-N-carbamoyl-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-3-methylbutanamide
CID 7940551
(2S)-N-carbamoyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 2638577
(2R)-N-(4-propan-2-ylphenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 7879245
(2R)-N-carbamoyl-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 7417426
N-carbamoyl-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 4825431
(2R)-N-(4-phenyl-1,3-thiazol-2-yl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 7879197
1-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-one
CID 975383
(2S)-2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-carbamoylpropanamide
CID 7562806
(2R)-2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-carbamoylpropanamide
CID 7562807
N-(methylcarbamoyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 7879201
N-cyclohexyl-3-methyl-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]butanamide
CID 78844460
N-(2-cyanoethyl)-N-phenyl-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 42974238

Frequently Asked Questions

What is the IUPAC name of (2R)-N-carbamoyl-3-methyl-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]butanamide?
The IUPAC name of (2R)-N-carbamoyl-3-methyl-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]butanamide (CID 7879243) is (2R)-N-carbamoyl-3-methyl-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]butanamide.
What is the SMILES notation for (2R)-N-carbamoyl-3-methyl-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]butanamide?
The canonical SMILES for (2R)-N-carbamoyl-3-methyl-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]butanamide is CC(C)[C@@H](Sc1nnc(-c2cccnc2)o1)C(=O)NC(N)=O.
What is the InChIKey of (2R)-N-carbamoyl-3-methyl-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]butanamide?
The InChIKey is IEMPHDBIEMXFBX-SECBINFHSA-N. The full InChI is InChI=1S/C13H15N5O3S/c1-7(2)9(10(19)16-12(14)20)22-13-18-17-11(21-13)8-4-3-5-15-6-8/h3-7,9H,1-2H3,(H3,14,16,19,20)/t9-/m1/s1.
What are the key properties of (2R)-N-carbamoyl-3-methyl-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]butanamide?
(2R)-N-carbamoyl-3-methyl-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]butanamide has a molecular weight of 321.36 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-carbamoyl-3-methyl-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]butanamide is sourced from PubChem (CID 7879243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).