2-[methyl-[[(1S,4S,6S)-3-methyl-4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]amino]ethanol

C24H35N3O2 — CID 38030662

IUPAC2-[methyl-[[(1S,4S,6S)-3-methyl-4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]amino]ethanol
SMILESCC1=C[C@@H](CN(C)CCO)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccc(C)cc2)o1
InChIInChI=1S/C24H35N3O2/c1-16(2)22-13-20(18(4)12-21(22)15-27(5)10-11-28)14-23-25-26-24(29-23)19-8-6-17(3)7-9-19/h6-9,12,16,20-22,28H,10-11,13-15H2,1-5H3/t20-,21-,22-/m0/s1
InChIKeyFAUZOWFXSCBIKF-FKBYEOEOSA-N
MW397.56 g/mol
LogP4.37
Rot. Bonds8

About 2-[methyl-[[(1S,4S,6S)-3-methyl-4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]amino]ethanol

2-[methyl-[[(1S,4S,6S)-3-methyl-4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]amino]ethanol (PubChem CID 38030662) has the molecular formula C24H35N3O2 and a molecular weight of 397.56 g/mol. Its IUPAC name is 2-[methyl-[[(1S,4S,6S)-3-methyl-4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]amino]ethanol.

Molecular Properties

Compound Name2-[methyl-[[(1S,4S,6S)-3-methyl-4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]amino]ethanol
PubChem CID38030662
Molecular FormulaC24H35N3O2
Molecular Weight397.56 g/mol
Exact Mass397.27
IUPAC Name2-[methyl-[[(1S,4S,6S)-3-methyl-4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]amino]ethanol
SMILESCC1=C[C@@H](CN(C)CCO)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccc(C)cc2)o1
InChIInChI=1S/C24H35N3O2/c1-16(2)22-13-20(18(4)12-21(22)15-27(5)10-11-28)14-23-25-26-24(29-23)19-8-6-17(3)7-9-19/h6-9,12,16,20-22,28H,10-11,13-15H2,1-5H3/t20-,21-,22-/m0/s1
InChIKeyFAUZOWFXSCBIKF-FKBYEOEOSA-N
XLogP4.37
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.56
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[methyl-[[(1S,4S,6S)-3-methyl-4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]amino]ethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[[(1S,4S,6S)-3-methyl-4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]amino]ethanol?
The IUPAC name of 2-[methyl-[[(1S,4S,6S)-3-methyl-4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]amino]ethanol (CID 38030662) is 2-[methyl-[[(1S,4S,6S)-3-methyl-4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]amino]ethanol.
What is the SMILES notation for 2-[methyl-[[(1S,4S,6S)-3-methyl-4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]amino]ethanol?
The canonical SMILES for 2-[methyl-[[(1S,4S,6S)-3-methyl-4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]amino]ethanol is CC1=C[C@@H](CN(C)CCO)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccc(C)cc2)o1.
What is the InChIKey of 2-[methyl-[[(1S,4S,6S)-3-methyl-4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]amino]ethanol?
The InChIKey is FAUZOWFXSCBIKF-FKBYEOEOSA-N. The full InChI is InChI=1S/C24H35N3O2/c1-16(2)22-13-20(18(4)12-21(22)15-27(5)10-11-28)14-23-25-26-24(29-23)19-8-6-17(3)7-9-19/h6-9,12,16,20-22,28H,10-11,13-15H2,1-5H3/t20-,21-,22-/m0/s1.
What are the key properties of 2-[methyl-[[(1S,4S,6S)-3-methyl-4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]amino]ethanol?
2-[methyl-[[(1S,4S,6S)-3-methyl-4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]amino]ethanol has a molecular weight of 397.56 g/mol, XLogP of 4.37, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[[(1S,4S,6S)-3-methyl-4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]amino]ethanol is sourced from PubChem (CID 38030662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).