3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-(2,2-dimethylpropylsulfonyl)propanamide

C13H21N3O4S — CID 99812784

IUPAC3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-(2,2-dimethylpropylsulfonyl)propanamide
SMILESCC(C)(C)CS(=O)(=O)NC(=O)CCc1nc(C2CC2)no1
InChIInChI=1S/C13H21N3O4S/c1-13(2,3)8-21(18,19)16-10(17)6-7-11-14-12(15-20-11)9-4-5-9/h9H,4-8H2,1-3H3,(H,16,17)
InChIKeyOBLGYEHNEJVIHH-UHFFFAOYSA-N
MW315.40 g/mol
LogP1.37
Rot. Bonds6

About 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-(2,2-dimethylpropylsulfonyl)propanamide

3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-(2,2-dimethylpropylsulfonyl)propanamide (PubChem CID 99812784) has the molecular formula C13H21N3O4S and a molecular weight of 315.40 g/mol. Its IUPAC name is 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-(2,2-dimethylpropylsulfonyl)propanamide.

Molecular Properties

Compound Name3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-(2,2-dimethylpropylsulfonyl)propanamide
PubChem CID99812784
Molecular FormulaC13H21N3O4S
Molecular Weight315.40 g/mol
Exact Mass315.13
IUPAC Name3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-(2,2-dimethylpropylsulfonyl)propanamide
SMILESCC(C)(C)CS(=O)(=O)NC(=O)CCc1nc(C2CC2)no1
InChIInChI=1S/C13H21N3O4S/c1-13(2,3)8-21(18,19)16-10(17)6-7-11-14-12(15-20-11)9-4-5-9/h9H,4-8H2,1-3H3,(H,16,17)
InChIKeyOBLGYEHNEJVIHH-UHFFFAOYSA-N
XLogP1.37
TPSA102.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butan-2-one
CID 63346459
4-[3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-one
CID 65412635
N-(1-amino-2-methylpropan-2-yl)-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride
CID 119522706
2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]-2-methylbutanoic acid
CID 119199076
benzyl 2-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propanoylamino]acetate
CID 75372856
3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)propanoic acid
CID 64982441
3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide
CID 91644648
N-cyclohexylsulfonyl-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 75418435
3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propanoic acid
CID 65390508
3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 166211937
4-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-one
CID 65390677
1-[4-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propanoyl]-3,3-dimethylpiperazin-1-yl]-2,2-dimethylpropan-1-one
CID 75444755

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-(2,2-dimethylpropylsulfonyl)propanamide?
The IUPAC name of 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-(2,2-dimethylpropylsulfonyl)propanamide (CID 99812784) is 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-(2,2-dimethylpropylsulfonyl)propanamide.
What is the SMILES notation for 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-(2,2-dimethylpropylsulfonyl)propanamide?
The canonical SMILES for 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-(2,2-dimethylpropylsulfonyl)propanamide is CC(C)(C)CS(=O)(=O)NC(=O)CCc1nc(C2CC2)no1.
What is the InChIKey of 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-(2,2-dimethylpropylsulfonyl)propanamide?
The InChIKey is OBLGYEHNEJVIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4S/c1-13(2,3)8-21(18,19)16-10(17)6-7-11-14-12(15-20-11)9-4-5-9/h9H,4-8H2,1-3H3,(H,16,17).
What are the key properties of 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-(2,2-dimethylpropylsulfonyl)propanamide?
3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-(2,2-dimethylpropylsulfonyl)propanamide has a molecular weight of 315.40 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-(2,2-dimethylpropylsulfonyl)propanamide is sourced from PubChem (CID 99812784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).