5-(4-methoxyphenyl)-N-[(1R)-1-(4-quinolin-4-yloxycyclohexyl)propyl]-1,3,4-oxadiazol-2-amine

C27H30N4O3 — CID 166731298

IUPAC5-(4-methoxyphenyl)-N-[(1R)-1-(4-quinolin-4-yloxycyclohexyl)propyl]-1,3,4-oxadiazol-2-amine
SMILESCC[C@@H](Nc1nnc(-c2ccc(OC)cc2)o1)C1CCC(Oc2ccnc3ccccc23)CC1
InChIInChI=1S/C27H30N4O3/c1-3-23(29-27-31-30-26(34-27)19-10-12-20(32-2)13-11-19)18-8-14-21(15-9-18)33-25-16-17-28-24-7-5-4-6-22(24)25/h4-7,10-13,16-18,21,23H,3,8-9,14-15H2,1-2H3,(H,29,31)/t18?,21?,23-/m1/s1
InChIKeyPIJNFSJZBDBXDE-PSGUAHCZSA-N
MW458.56 g/mol
LogP6.12
Rot. Bonds8

About 5-(4-methoxyphenyl)-N-[(1R)-1-(4-quinolin-4-yloxycyclohexyl)propyl]-1,3,4-oxadiazol-2-amine

5-(4-methoxyphenyl)-N-[(1R)-1-(4-quinolin-4-yloxycyclohexyl)propyl]-1,3,4-oxadiazol-2-amine (PubChem CID 166731298) has the molecular formula C27H30N4O3 and a molecular weight of 458.56 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-N-[(1R)-1-(4-quinolin-4-yloxycyclohexyl)propyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-N-[(1R)-1-(4-quinolin-4-yloxycyclohexyl)propyl]-1,3,4-oxadiazol-2-amine
PubChem CID166731298
Molecular FormulaC27H30N4O3
Molecular Weight458.56 g/mol
Exact Mass458.23
IUPAC Name5-(4-methoxyphenyl)-N-[(1R)-1-(4-quinolin-4-yloxycyclohexyl)propyl]-1,3,4-oxadiazol-2-amine
SMILESCC[C@@H](Nc1nnc(-c2ccc(OC)cc2)o1)C1CCC(Oc2ccnc3ccccc23)CC1
InChIInChI=1S/C27H30N4O3/c1-3-23(29-27-31-30-26(34-27)19-10-12-20(32-2)13-11-19)18-8-14-21(15-9-18)33-25-16-17-28-24-7-5-4-6-22(24)25/h4-7,10-13,16-18,21,23H,3,8-9,14-15H2,1-2H3,(H,29,31)/t18?,21?,23-/m1/s1
InChIKeyPIJNFSJZBDBXDE-PSGUAHCZSA-N
XLogP6.12
TPSA82.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.56
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-N-[(1R)-1-(4-quinolin-4-yloxycyclohexyl)propyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(4-methoxyphenyl)-N-[(1R)-1-(4-quinolin-4-yloxycyclohexyl)propyl]-1,3,4-oxadiazol-2-amine (CID 166731298) is 5-(4-methoxyphenyl)-N-[(1R)-1-(4-quinolin-4-yloxycyclohexyl)propyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(4-methoxyphenyl)-N-[(1R)-1-(4-quinolin-4-yloxycyclohexyl)propyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(4-methoxyphenyl)-N-[(1R)-1-(4-quinolin-4-yloxycyclohexyl)propyl]-1,3,4-oxadiazol-2-amine is CC[C@@H](Nc1nnc(-c2ccc(OC)cc2)o1)C1CCC(Oc2ccnc3ccccc23)CC1.
What is the InChIKey of 5-(4-methoxyphenyl)-N-[(1R)-1-(4-quinolin-4-yloxycyclohexyl)propyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is PIJNFSJZBDBXDE-PSGUAHCZSA-N. The full InChI is InChI=1S/C27H30N4O3/c1-3-23(29-27-31-30-26(34-27)19-10-12-20(32-2)13-11-19)18-8-14-21(15-9-18)33-25-16-17-28-24-7-5-4-6-22(24)25/h4-7,10-13,16-18,21,23H,3,8-9,14-15H2,1-2H3,(H,29,31)/t18?,21?,23-/m1/s1.
What are the key properties of 5-(4-methoxyphenyl)-N-[(1R)-1-(4-quinolin-4-yloxycyclohexyl)propyl]-1,3,4-oxadiazol-2-amine?
5-(4-methoxyphenyl)-N-[(1R)-1-(4-quinolin-4-yloxycyclohexyl)propyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 458.56 g/mol, XLogP of 6.12, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-N-[(1R)-1-(4-quinolin-4-yloxycyclohexyl)propyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 166731298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).