4-[5-(4-tert-butylcyclohexyl)-1,3,4-oxadiazol-2-yl]butanoic acid

C16H26N2O3 — CID 62718559

IUPAC4-[5-(4-tert-butylcyclohexyl)-1,3,4-oxadiazol-2-yl]butanoic acid
SMILESCC(C)(C)C1CCC(c2nnc(CCCC(=O)O)o2)CC1
InChIInChI=1S/C16H26N2O3/c1-16(2,3)12-9-7-11(8-10-12)15-18-17-13(21-15)5-4-6-14(19)20/h11-12H,4-10H2,1-3H3,(H,19,20)
InChIKeyBYDLUPMZXUMFQQ-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.80
Rot. Bonds5

About 4-[5-(4-tert-butylcyclohexyl)-1,3,4-oxadiazol-2-yl]butanoic acid

4-[5-(4-tert-butylcyclohexyl)-1,3,4-oxadiazol-2-yl]butanoic acid (PubChem CID 62718559) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is 4-[5-(4-tert-butylcyclohexyl)-1,3,4-oxadiazol-2-yl]butanoic acid.

Molecular Properties

Compound Name4-[5-(4-tert-butylcyclohexyl)-1,3,4-oxadiazol-2-yl]butanoic acid
PubChem CID62718559
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name4-[5-(4-tert-butylcyclohexyl)-1,3,4-oxadiazol-2-yl]butanoic acid
SMILESCC(C)(C)C1CCC(c2nnc(CCCC(=O)O)o2)CC1
InChIInChI=1S/C16H26N2O3/c1-16(2,3)12-9-7-11(8-10-12)15-18-17-13(21-15)5-4-6-14(19)20/h11-12H,4-10H2,1-3H3,(H,19,20)
InChIKeyBYDLUPMZXUMFQQ-UHFFFAOYSA-N
XLogP3.80
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[5-(4-tert-butylcyclohexyl)-1,3,4-oxadiazol-2-yl]butanoic acid with MolForge

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Related Compounds

1-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6,6-dimethyl-5-propan-2-ylheptan-4-one
CID 58124233
5-[5-(1,1-dioxothiolan-3-yl)-1,3,4-oxadiazol-2-yl]pentanoic acid
CID 64904149
4-[2-(4-tert-butylcyclohexyl)phenyl]butanoic acid
CID 117487407
4-[5-(1,4-dioxan-2-yl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 62805639
4-(5-ethyl-1,3,4-oxadiazol-2-yl)butanoic acid
CID 60911431
2-bromo-5-(4-tert-butylcyclohexyl)-1,3,4-oxadiazole
CID 114771380
4-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-3,3-dimethylbutanoic acid
CID 62933423
2-(4-tert-butylcyclohexyl)-4-ethyl-1,3-oxazole-5-carboxylic acid
CID 104842337
3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-ethylpropan-1-amine
CID 62136737
4-(5-amino-1,3,4-oxadiazol-2-yl)butanoic acid
CID 82468092
2-[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]acetic acid
CID 115021308
4-[5-(2-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 60912451

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-tert-butylcyclohexyl)-1,3,4-oxadiazol-2-yl]butanoic acid?
The IUPAC name of 4-[5-(4-tert-butylcyclohexyl)-1,3,4-oxadiazol-2-yl]butanoic acid (CID 62718559) is 4-[5-(4-tert-butylcyclohexyl)-1,3,4-oxadiazol-2-yl]butanoic acid.
What is the SMILES notation for 4-[5-(4-tert-butylcyclohexyl)-1,3,4-oxadiazol-2-yl]butanoic acid?
The canonical SMILES for 4-[5-(4-tert-butylcyclohexyl)-1,3,4-oxadiazol-2-yl]butanoic acid is CC(C)(C)C1CCC(c2nnc(CCCC(=O)O)o2)CC1.
What is the InChIKey of 4-[5-(4-tert-butylcyclohexyl)-1,3,4-oxadiazol-2-yl]butanoic acid?
The InChIKey is BYDLUPMZXUMFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-16(2,3)12-9-7-11(8-10-12)15-18-17-13(21-15)5-4-6-14(19)20/h11-12H,4-10H2,1-3H3,(H,19,20).
What are the key properties of 4-[5-(4-tert-butylcyclohexyl)-1,3,4-oxadiazol-2-yl]butanoic acid?
4-[5-(4-tert-butylcyclohexyl)-1,3,4-oxadiazol-2-yl]butanoic acid has a molecular weight of 294.40 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-tert-butylcyclohexyl)-1,3,4-oxadiazol-2-yl]butanoic acid is sourced from PubChem (CID 62718559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).