(2S)-N-carbamoyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide

C12H12N4O3S — CID 2638577

IUPAC(2S)-N-carbamoyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
SMILESC[C@H](Sc1nnc(-c2ccccc2)o1)C(=O)NC(N)=O
InChIInChI=1S/C12H12N4O3S/c1-7(9(17)14-11(13)18)20-12-16-15-10(19-12)8-5-3-2-4-6-8/h2-7H,1H3,(H3,13,14,17,18)/t7-/m0/s1
InChIKeyHDQOBWWDIGPULH-ZETCQYMHSA-N
MW292.32 g/mol
LogP1.41
Rot. Bonds4

About (2S)-N-carbamoyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide

(2S)-N-carbamoyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide (PubChem CID 2638577) has the molecular formula C12H12N4O3S and a molecular weight of 292.32 g/mol. Its IUPAC name is (2S)-N-carbamoyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide.

Molecular Properties

Compound Name(2S)-N-carbamoyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
PubChem CID2638577
Molecular FormulaC12H12N4O3S
Molecular Weight292.32 g/mol
Exact Mass292.06
IUPAC Name(2S)-N-carbamoyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
SMILESC[C@H](Sc1nnc(-c2ccccc2)o1)C(=O)NC(N)=O
InChIInChI=1S/C12H12N4O3S/c1-7(9(17)14-11(13)18)20-12-16-15-10(19-12)8-5-3-2-4-6-8/h2-7H,1H3,(H3,13,14,17,18)/t7-/m0/s1
InChIKeyHDQOBWWDIGPULH-ZETCQYMHSA-N
XLogP1.41
TPSA111.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-carbamoyl-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 4825431
(2R)-N-carbamoyl-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 7417426
(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
(2S)-N-cyclopropyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 7459294
2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propylpropanamide
CID 47119494
N-carbamoyl-2-[[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 4804901
N-(3,5-dichlorophenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 16537072
N-(2-cyano-3-methylbutan-2-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 51140105
2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(phenylcarbamoyl)propanamide
CID 24571671
2-[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoylamino]thiophene-3-carboxamide
CID 78668010
(2R)-N-(benzylcarbamoyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 8553430

Frequently Asked Questions

What is the IUPAC name of (2S)-N-carbamoyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide?
The IUPAC name of (2S)-N-carbamoyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide (CID 2638577) is (2S)-N-carbamoyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide.
What is the SMILES notation for (2S)-N-carbamoyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide?
The canonical SMILES for (2S)-N-carbamoyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide is C[C@H](Sc1nnc(-c2ccccc2)o1)C(=O)NC(N)=O.
What is the InChIKey of (2S)-N-carbamoyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide?
The InChIKey is HDQOBWWDIGPULH-ZETCQYMHSA-N. The full InChI is InChI=1S/C12H12N4O3S/c1-7(9(17)14-11(13)18)20-12-16-15-10(19-12)8-5-3-2-4-6-8/h2-7H,1H3,(H3,13,14,17,18)/t7-/m0/s1.
What are the key properties of (2S)-N-carbamoyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide?
(2S)-N-carbamoyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide has a molecular weight of 292.32 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-carbamoyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide is sourced from PubChem (CID 2638577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).