1-[4-[2-[4-(4-cyclopropyl-1,2-oxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-3-(2-methyl-1,3-thiazol-5-yl)propan-2-one

C26H37N3O2S — CID 159296673

IUPAC1-[4-[2-[4-(4-cyclopropyl-1,2-oxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-3-(2-methyl-1,3-thiazol-5-yl)propan-2-one
SMILESCc1ncc(CC(=O)CC2CCC(CCN3CCC(c4nocc4C4CC4)CC3)CC2)s1
InChIInChI=1S/C26H37N3O2S/c1-18-27-16-24(32-18)15-23(30)14-20-4-2-19(3-5-20)8-11-29-12-9-22(10-13-29)26-25(17-31-28-26)21-6-7-21/h16-17,19-22H,2-15H2,1H3
InChIKeyLAUQWAIPHVILKV-UHFFFAOYSA-N
MW455.67 g/mol
LogP5.89
Rot. Bonds9

About 1-[4-[2-[4-(4-cyclopropyl-1,2-oxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-3-(2-methyl-1,3-thiazol-5-yl)propan-2-one

1-[4-[2-[4-(4-cyclopropyl-1,2-oxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-3-(2-methyl-1,3-thiazol-5-yl)propan-2-one (PubChem CID 159296673) has the molecular formula C26H37N3O2S and a molecular weight of 455.67 g/mol. Its IUPAC name is 1-[4-[2-[4-(4-cyclopropyl-1,2-oxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-3-(2-methyl-1,3-thiazol-5-yl)propan-2-one.

Molecular Properties

Compound Name1-[4-[2-[4-(4-cyclopropyl-1,2-oxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-3-(2-methyl-1,3-thiazol-5-yl)propan-2-one
PubChem CID159296673
Molecular FormulaC26H37N3O2S
Molecular Weight455.67 g/mol
Exact Mass455.26
IUPAC Name1-[4-[2-[4-(4-cyclopropyl-1,2-oxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-3-(2-methyl-1,3-thiazol-5-yl)propan-2-one
SMILESCc1ncc(CC(=O)CC2CCC(CCN3CCC(c4nocc4C4CC4)CC3)CC2)s1
InChIInChI=1S/C26H37N3O2S/c1-18-27-16-24(32-18)15-23(30)14-20-4-2-19(3-5-20)8-11-29-12-9-22(10-13-29)26-25(17-31-28-26)21-6-7-21/h16-17,19-22H,2-15H2,1H3
InChIKeyLAUQWAIPHVILKV-UHFFFAOYSA-N
XLogP5.89
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.67
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4-[2-[4-(4-cyclopropyl-1,2-oxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-3-(2-methyl-1,3-thiazol-5-yl)propan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[4-(4-cyclopropyl-1,2-oxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-3-(2-methyl-1,3-thiazol-5-yl)propan-2-one?
The IUPAC name of 1-[4-[2-[4-(4-cyclopropyl-1,2-oxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-3-(2-methyl-1,3-thiazol-5-yl)propan-2-one (CID 159296673) is 1-[4-[2-[4-(4-cyclopropyl-1,2-oxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-3-(2-methyl-1,3-thiazol-5-yl)propan-2-one.
What is the SMILES notation for 1-[4-[2-[4-(4-cyclopropyl-1,2-oxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-3-(2-methyl-1,3-thiazol-5-yl)propan-2-one?
The canonical SMILES for 1-[4-[2-[4-(4-cyclopropyl-1,2-oxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-3-(2-methyl-1,3-thiazol-5-yl)propan-2-one is Cc1ncc(CC(=O)CC2CCC(CCN3CCC(c4nocc4C4CC4)CC3)CC2)s1.
What is the InChIKey of 1-[4-[2-[4-(4-cyclopropyl-1,2-oxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-3-(2-methyl-1,3-thiazol-5-yl)propan-2-one?
The InChIKey is LAUQWAIPHVILKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N3O2S/c1-18-27-16-24(32-18)15-23(30)14-20-4-2-19(3-5-20)8-11-29-12-9-22(10-13-29)26-25(17-31-28-26)21-6-7-21/h16-17,19-22H,2-15H2,1H3.
What are the key properties of 1-[4-[2-[4-(4-cyclopropyl-1,2-oxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-3-(2-methyl-1,3-thiazol-5-yl)propan-2-one?
1-[4-[2-[4-(4-cyclopropyl-1,2-oxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-3-(2-methyl-1,3-thiazol-5-yl)propan-2-one has a molecular weight of 455.67 g/mol, XLogP of 5.89, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[4-(4-cyclopropyl-1,2-oxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-3-(2-methyl-1,3-thiazol-5-yl)propan-2-one is sourced from PubChem (CID 159296673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).