[1-tert-butyl-4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)cyclohexyl]carbamic acid

C17H29N3O3 — CID 66709932

IUPAC[1-tert-butyl-4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)cyclohexyl]carbamic acid
SMILESCC(C)(C)c1nnc(C2CCC(NC(=O)O)(C(C)(C)C)CC2)o1
InChIInChI=1S/C17H29N3O3/c1-15(2,3)13-20-19-12(23-13)11-7-9-17(10-8-11,16(4,5)6)18-14(21)22/h11,18H,7-10H2,1-6H3,(H,21,22)
InChIKeyAWWZEFBAHCDHGQ-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.08
Rot. Bonds2

About [1-tert-butyl-4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)cyclohexyl]carbamic acid

[1-tert-butyl-4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)cyclohexyl]carbamic acid (PubChem CID 66709932) has the molecular formula C17H29N3O3 and a molecular weight of 323.44 g/mol. Its IUPAC name is [1-tert-butyl-4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)cyclohexyl]carbamic acid.

Molecular Properties

Compound Name[1-tert-butyl-4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)cyclohexyl]carbamic acid
PubChem CID66709932
Molecular FormulaC17H29N3O3
Molecular Weight323.44 g/mol
Exact Mass323.22
IUPAC Name[1-tert-butyl-4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)cyclohexyl]carbamic acid
SMILESCC(C)(C)c1nnc(C2CCC(NC(=O)O)(C(C)(C)C)CC2)o1
InChIInChI=1S/C17H29N3O3/c1-15(2,3)13-20-19-12(23-13)11-7-9-17(10-8-11,16(4,5)6)18-14(21)22/h11,18H,7-10H2,1-6H3,(H,21,22)
InChIKeyAWWZEFBAHCDHGQ-UHFFFAOYSA-N
XLogP4.08
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-tert-butyl-4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)cyclohexyl]carbamic acid?
The IUPAC name of [1-tert-butyl-4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)cyclohexyl]carbamic acid (CID 66709932) is [1-tert-butyl-4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)cyclohexyl]carbamic acid.
What is the SMILES notation for [1-tert-butyl-4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)cyclohexyl]carbamic acid?
The canonical SMILES for [1-tert-butyl-4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)cyclohexyl]carbamic acid is CC(C)(C)c1nnc(C2CCC(NC(=O)O)(C(C)(C)C)CC2)o1.
What is the InChIKey of [1-tert-butyl-4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)cyclohexyl]carbamic acid?
The InChIKey is AWWZEFBAHCDHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O3/c1-15(2,3)13-20-19-12(23-13)11-7-9-17(10-8-11,16(4,5)6)18-14(21)22/h11,18H,7-10H2,1-6H3,(H,21,22).
What are the key properties of [1-tert-butyl-4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)cyclohexyl]carbamic acid?
[1-tert-butyl-4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)cyclohexyl]carbamic acid has a molecular weight of 323.44 g/mol, XLogP of 4.08, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-tert-butyl-4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)cyclohexyl]carbamic acid is sourced from PubChem (CID 66709932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).