N-cyclohexyl-5-[1-[4-(2-methylpropyl)phenyl]ethyl]-1,3,4-oxadiazol-2-amine

C20H29N3O — CID 3075533

IUPACN-cyclohexyl-5-[1-[4-(2-methylpropyl)phenyl]ethyl]-1,3,4-oxadiazol-2-amine
SMILESCC(C)Cc1ccc(C(C)c2nnc(NC3CCCCC3)o2)cc1
InChIInChI=1S/C20H29N3O/c1-14(2)13-16-9-11-17(12-10-16)15(3)19-22-23-20(24-19)21-18-7-5-4-6-8-18/h9-12,14-15,18H,4-8,13H2,1-3H3,(H,21,23)
InChIKeyQWZURBKYUONRAN-UHFFFAOYSA-N
MW327.47 g/mol
LogP5.16
Rot. Bonds6

About N-cyclohexyl-5-[1-[4-(2-methylpropyl)phenyl]ethyl]-1,3,4-oxadiazol-2-amine

N-cyclohexyl-5-[1-[4-(2-methylpropyl)phenyl]ethyl]-1,3,4-oxadiazol-2-amine (PubChem CID 3075533) has the molecular formula C20H29N3O and a molecular weight of 327.47 g/mol. Its IUPAC name is N-cyclohexyl-5-[1-[4-(2-methylpropyl)phenyl]ethyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-5-[1-[4-(2-methylpropyl)phenyl]ethyl]-1,3,4-oxadiazol-2-amine
PubChem CID3075533
Molecular FormulaC20H29N3O
Molecular Weight327.47 g/mol
Exact Mass327.23
IUPAC NameN-cyclohexyl-5-[1-[4-(2-methylpropyl)phenyl]ethyl]-1,3,4-oxadiazol-2-amine
SMILESCC(C)Cc1ccc(C(C)c2nnc(NC3CCCCC3)o2)cc1
InChIInChI=1S/C20H29N3O/c1-14(2)13-16-9-11-17(12-10-16)15(3)19-22-23-20(24-19)21-18-7-5-4-6-8-18/h9-12,14-15,18H,4-8,13H2,1-3H3,(H,21,23)
InChIKeyQWZURBKYUONRAN-UHFFFAOYSA-N
XLogP5.16
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.47
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-[1-[4-(2-methylpropyl)phenyl]ethyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-cyclohexyl-5-[1-[4-(2-methylpropyl)phenyl]ethyl]-1,3,4-oxadiazol-2-amine (CID 3075533) is N-cyclohexyl-5-[1-[4-(2-methylpropyl)phenyl]ethyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-cyclohexyl-5-[1-[4-(2-methylpropyl)phenyl]ethyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-cyclohexyl-5-[1-[4-(2-methylpropyl)phenyl]ethyl]-1,3,4-oxadiazol-2-amine is CC(C)Cc1ccc(C(C)c2nnc(NC3CCCCC3)o2)cc1.
What is the InChIKey of N-cyclohexyl-5-[1-[4-(2-methylpropyl)phenyl]ethyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is QWZURBKYUONRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O/c1-14(2)13-16-9-11-17(12-10-16)15(3)19-22-23-20(24-19)21-18-7-5-4-6-8-18/h9-12,14-15,18H,4-8,13H2,1-3H3,(H,21,23).
What are the key properties of N-cyclohexyl-5-[1-[4-(2-methylpropyl)phenyl]ethyl]-1,3,4-oxadiazol-2-amine?
N-cyclohexyl-5-[1-[4-(2-methylpropyl)phenyl]ethyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 327.47 g/mol, XLogP of 5.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-[1-[4-(2-methylpropyl)phenyl]ethyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 3075533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).