N-[4-[2-[4-[4-(1,1-difluoroethyl)-1,2-oxazol-3-yl]piperidin-1-yl]ethyl]cyclohexyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide

C24H34F2N4O3 — CID 147021917

IUPACN-[4-[2-[4-[4-(1,1-difluoroethyl)-1,2-oxazol-3-yl]piperidin-1-yl]ethyl]cyclohexyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
SMILESCc1cc(CC(=O)NC2CCC(CCN3CCC(c4nocc4C(C)(F)F)CC3)CC2)on1
InChIInChI=1S/C24H34F2N4O3/c1-16-13-20(33-28-16)14-22(31)27-19-5-3-17(4-6-19)7-10-30-11-8-18(9-12-30)23-21(15-32-29-23)24(2,25)26/h13,15,17-19H,3-12,14H2,1-2H3,(H,27,31)
InChIKeyAVWMISMTBOIUJI-UHFFFAOYSA-N
MW464.56 g/mol
LogP4.57
Rot. Bonds8

About N-[4-[2-[4-[4-(1,1-difluoroethyl)-1,2-oxazol-3-yl]piperidin-1-yl]ethyl]cyclohexyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide

N-[4-[2-[4-[4-(1,1-difluoroethyl)-1,2-oxazol-3-yl]piperidin-1-yl]ethyl]cyclohexyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide (PubChem CID 147021917) has the molecular formula C24H34F2N4O3 and a molecular weight of 464.56 g/mol. Its IUPAC name is N-[4-[2-[4-[4-(1,1-difluoroethyl)-1,2-oxazol-3-yl]piperidin-1-yl]ethyl]cyclohexyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide.

Molecular Properties

Compound NameN-[4-[2-[4-[4-(1,1-difluoroethyl)-1,2-oxazol-3-yl]piperidin-1-yl]ethyl]cyclohexyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
PubChem CID147021917
Molecular FormulaC24H34F2N4O3
Molecular Weight464.56 g/mol
Exact Mass464.26
IUPAC NameN-[4-[2-[4-[4-(1,1-difluoroethyl)-1,2-oxazol-3-yl]piperidin-1-yl]ethyl]cyclohexyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
SMILESCc1cc(CC(=O)NC2CCC(CCN3CCC(c4nocc4C(C)(F)F)CC3)CC2)on1
InChIInChI=1S/C24H34F2N4O3/c1-16-13-20(33-28-16)14-22(31)27-19-5-3-17(4-6-19)7-10-30-11-8-18(9-12-30)23-21(15-32-29-23)24(2,25)26/h13,15,17-19H,3-12,14H2,1-2H3,(H,27,31)
InChIKeyAVWMISMTBOIUJI-UHFFFAOYSA-N
XLogP4.57
TPSA84.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.56
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-[2-[4-[4-(1,1-difluoroethyl)-1,2-oxazol-3-yl]piperidin-1-yl]ethyl]cyclohexyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-[4-(1,1-difluoroethyl)-1,2-oxazol-3-yl]piperidin-1-yl]ethyl]cyclohexyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide?
The IUPAC name of N-[4-[2-[4-[4-(1,1-difluoroethyl)-1,2-oxazol-3-yl]piperidin-1-yl]ethyl]cyclohexyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide (CID 147021917) is N-[4-[2-[4-[4-(1,1-difluoroethyl)-1,2-oxazol-3-yl]piperidin-1-yl]ethyl]cyclohexyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide.
What is the SMILES notation for N-[4-[2-[4-[4-(1,1-difluoroethyl)-1,2-oxazol-3-yl]piperidin-1-yl]ethyl]cyclohexyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide?
The canonical SMILES for N-[4-[2-[4-[4-(1,1-difluoroethyl)-1,2-oxazol-3-yl]piperidin-1-yl]ethyl]cyclohexyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide is Cc1cc(CC(=O)NC2CCC(CCN3CCC(c4nocc4C(C)(F)F)CC3)CC2)on1.
What is the InChIKey of N-[4-[2-[4-[4-(1,1-difluoroethyl)-1,2-oxazol-3-yl]piperidin-1-yl]ethyl]cyclohexyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide?
The InChIKey is AVWMISMTBOIUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34F2N4O3/c1-16-13-20(33-28-16)14-22(31)27-19-5-3-17(4-6-19)7-10-30-11-8-18(9-12-30)23-21(15-32-29-23)24(2,25)26/h13,15,17-19H,3-12,14H2,1-2H3,(H,27,31).
What are the key properties of N-[4-[2-[4-[4-(1,1-difluoroethyl)-1,2-oxazol-3-yl]piperidin-1-yl]ethyl]cyclohexyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide?
N-[4-[2-[4-[4-(1,1-difluoroethyl)-1,2-oxazol-3-yl]piperidin-1-yl]ethyl]cyclohexyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide has a molecular weight of 464.56 g/mol, XLogP of 4.57, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-[4-(1,1-difluoroethyl)-1,2-oxazol-3-yl]piperidin-1-yl]ethyl]cyclohexyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide is sourced from PubChem (CID 147021917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).