3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(4-methylcyclohexyl)propanamide

C16H27N3O2 — CID 38415452

IUPAC3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(4-methylcyclohexyl)propanamide
SMILESCC1CCC(NC(=O)CCc2nc(C(C)(C)C)no2)CC1
InChIInChI=1S/C16H27N3O2/c1-11-5-7-12(8-6-11)17-13(20)9-10-14-18-15(19-21-14)16(2,3)4/h11-12H,5-10H2,1-4H3,(H,17,20)
InChIKeyWODMCNPZRBCCDZ-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.99
Rot. Bonds4

About 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(4-methylcyclohexyl)propanamide

3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(4-methylcyclohexyl)propanamide (PubChem CID 38415452) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(4-methylcyclohexyl)propanamide.

Molecular Properties

Compound Name3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(4-methylcyclohexyl)propanamide
PubChem CID38415452
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(4-methylcyclohexyl)propanamide
SMILESCC1CCC(NC(=O)CCc2nc(C(C)(C)C)no2)CC1
InChIInChI=1S/C16H27N3O2/c1-11-5-7-12(8-6-11)17-13(20)9-10-14-18-15(19-21-14)16(2,3)4/h11-12H,5-10H2,1-4H3,(H,17,20)
InChIKeyWODMCNPZRBCCDZ-UHFFFAOYSA-N
XLogP2.99
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(4-methylcyclohexyl)propanamide?
The IUPAC name of 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(4-methylcyclohexyl)propanamide (CID 38415452) is 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(4-methylcyclohexyl)propanamide.
What is the SMILES notation for 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(4-methylcyclohexyl)propanamide?
The canonical SMILES for 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(4-methylcyclohexyl)propanamide is CC1CCC(NC(=O)CCc2nc(C(C)(C)C)no2)CC1.
What is the InChIKey of 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(4-methylcyclohexyl)propanamide?
The InChIKey is WODMCNPZRBCCDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-11-5-7-12(8-6-11)17-13(20)9-10-14-18-15(19-21-14)16(2,3)4/h11-12H,5-10H2,1-4H3,(H,17,20).
What are the key properties of 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(4-methylcyclohexyl)propanamide?
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(4-methylcyclohexyl)propanamide has a molecular weight of 293.41 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(4-methylcyclohexyl)propanamide is sourced from PubChem (CID 38415452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).