2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(cyclopropylcarbamoyl)propanamide

C13H20N4O3S — CID 51087484

IUPAC2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(cyclopropylcarbamoyl)propanamide
SMILESCC(Sc1nnc(C(C)(C)C)o1)C(=O)NC(=O)NC1CC1
InChIInChI=1S/C13H20N4O3S/c1-7(9(18)15-11(19)14-8-5-6-8)21-12-17-16-10(20-12)13(2,3)4/h7-8H,5-6H2,1-4H3,(H2,14,15,18,19)
InChIKeyCCZFPEABXXCKGE-UHFFFAOYSA-N
MW312.40 g/mol
LogP1.84
Rot. Bonds4

About 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(cyclopropylcarbamoyl)propanamide

2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(cyclopropylcarbamoyl)propanamide (PubChem CID 51087484) has the molecular formula C13H20N4O3S and a molecular weight of 312.40 g/mol. Its IUPAC name is 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(cyclopropylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(cyclopropylcarbamoyl)propanamide
PubChem CID51087484
Molecular FormulaC13H20N4O3S
Molecular Weight312.40 g/mol
Exact Mass312.13
IUPAC Name2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(cyclopropylcarbamoyl)propanamide
SMILESCC(Sc1nnc(C(C)(C)C)o1)C(=O)NC(=O)NC1CC1
InChIInChI=1S/C13H20N4O3S/c1-7(9(18)15-11(19)14-8-5-6-8)21-12-17-16-10(20-12)13(2,3)4/h7-8H,5-6H2,1-4H3,(H2,14,15,18,19)
InChIKeyCCZFPEABXXCKGE-UHFFFAOYSA-N
XLogP1.84
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-N-(cyclohexylcarbamoyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 7816551
(2R)-2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-cyclopropylpropanamide
CID 7562782
2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(cyclopropylcarbamoyl)propanamide
CID 18123434
(2R)-N-(cyclohexylcarbamoyl)-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 7170645
(2R)-N-(cyclopentylcarbamoyl)-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 8889695
(2S)-N-(cyclohexylcarbamoyl)-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 7170644
(2R)-N-(cyclopentylcarbamoyl)-2-[[5-[(1R)-1-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 8948837
(2R)-N-(cyclopentylcarbamoyl)-2-[[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 9382731
(2S)-2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-cyclohexylpropanamide
CID 7562787
(2S)-N-cyclopropyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 7459294
(2S)-N-(tert-butylcarbamoyl)-2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 27976356
(2R)-N-(cyclohexylcarbamoyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 7557489

Frequently Asked Questions

What is the IUPAC name of 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(cyclopropylcarbamoyl)propanamide?
The IUPAC name of 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(cyclopropylcarbamoyl)propanamide (CID 51087484) is 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(cyclopropylcarbamoyl)propanamide.
What is the SMILES notation for 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(cyclopropylcarbamoyl)propanamide?
The canonical SMILES for 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(cyclopropylcarbamoyl)propanamide is CC(Sc1nnc(C(C)(C)C)o1)C(=O)NC(=O)NC1CC1.
What is the InChIKey of 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(cyclopropylcarbamoyl)propanamide?
The InChIKey is CCZFPEABXXCKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3S/c1-7(9(18)15-11(19)14-8-5-6-8)21-12-17-16-10(20-12)13(2,3)4/h7-8H,5-6H2,1-4H3,(H2,14,15,18,19).
What are the key properties of 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(cyclopropylcarbamoyl)propanamide?
2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(cyclopropylcarbamoyl)propanamide has a molecular weight of 312.40 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(cyclopropylcarbamoyl)propanamide is sourced from PubChem (CID 51087484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).