2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[4-[2-[2-(3,3,3-trifluoropropyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]acetamide

C25H34F3N5O2 — CID 155347435

IUPAC2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[4-[2-[2-(3,3,3-trifluoropropyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]acetamide
SMILESCc1nc(CC(=O)NC2CCC(CCN3CCc4ccc(CCC(F)(F)F)nc4CC3)CC2)no1
InChIInChI=1S/C25H34F3N5O2/c1-17-29-23(32-35-17)16-24(34)31-20-5-2-18(3-6-20)9-13-33-14-10-19-4-7-21(8-12-25(26,27)28)30-22(19)11-15-33/h4,7,18,20H,2-3,5-6,8-16H2,1H3,(H,31,34)
InChIKeyCJSWEVQUNWOTCF-UHFFFAOYSA-N
MW493.57 g/mol
LogP3.98
Rot. Bonds8

About 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[4-[2-[2-(3,3,3-trifluoropropyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]acetamide

2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[4-[2-[2-(3,3,3-trifluoropropyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]acetamide (PubChem CID 155347435) has the molecular formula C25H34F3N5O2 and a molecular weight of 493.57 g/mol. Its IUPAC name is 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[4-[2-[2-(3,3,3-trifluoropropyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]acetamide.

Molecular Properties

Compound Name2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[4-[2-[2-(3,3,3-trifluoropropyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]acetamide
PubChem CID155347435
Molecular FormulaC25H34F3N5O2
Molecular Weight493.57 g/mol
Exact Mass493.27
IUPAC Name2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[4-[2-[2-(3,3,3-trifluoropropyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]acetamide
SMILESCc1nc(CC(=O)NC2CCC(CCN3CCc4ccc(CCC(F)(F)F)nc4CC3)CC2)no1
InChIInChI=1S/C25H34F3N5O2/c1-17-29-23(32-35-17)16-24(34)31-20-5-2-18(3-6-20)9-13-33-14-10-19-4-7-21(8-12-25(26,27)28)30-22(19)11-15-33/h4,7,18,20H,2-3,5-6,8-16H2,1H3,(H,31,34)
InChIKeyCJSWEVQUNWOTCF-UHFFFAOYSA-N
XLogP3.98
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.57
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[4-[2-[2-(3,3,3-trifluoropropyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]acetamide?
The IUPAC name of 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[4-[2-[2-(3,3,3-trifluoropropyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]acetamide (CID 155347435) is 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[4-[2-[2-(3,3,3-trifluoropropyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]acetamide.
What is the SMILES notation for 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[4-[2-[2-(3,3,3-trifluoropropyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]acetamide?
The canonical SMILES for 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[4-[2-[2-(3,3,3-trifluoropropyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]acetamide is Cc1nc(CC(=O)NC2CCC(CCN3CCc4ccc(CCC(F)(F)F)nc4CC3)CC2)no1.
What is the InChIKey of 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[4-[2-[2-(3,3,3-trifluoropropyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]acetamide?
The InChIKey is CJSWEVQUNWOTCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34F3N5O2/c1-17-29-23(32-35-17)16-24(34)31-20-5-2-18(3-6-20)9-13-33-14-10-19-4-7-21(8-12-25(26,27)28)30-22(19)11-15-33/h4,7,18,20H,2-3,5-6,8-16H2,1H3,(H,31,34).
What are the key properties of 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[4-[2-[2-(3,3,3-trifluoropropyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]acetamide?
2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[4-[2-[2-(3,3,3-trifluoropropyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]acetamide has a molecular weight of 493.57 g/mol, XLogP of 3.98, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[4-[2-[2-(3,3,3-trifluoropropyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]acetamide is sourced from PubChem (CID 155347435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).