2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]amino]-N-(2-phenoxyphenyl)acetamide

C24H28N4O3 — CID 47084614

IUPAC2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]amino]-N-(2-phenoxyphenyl)acetamide
SMILESCc1nc(C2(NCC(=O)Nc3ccccc3Oc3ccccc3)CCCCCC2)no1
InChIInChI=1S/C24H28N4O3/c1-18-26-23(28-31-18)24(15-9-2-3-10-16-24)25-17-22(29)27-20-13-7-8-14-21(20)30-19-11-5-4-6-12-19/h4-8,11-14,25H,2-3,9-10,15-17H2,1H3,(H,27,29)
InChIKeyKUKOWOFEDIWBSF-UHFFFAOYSA-N
MW420.51 g/mol
LogP4.95
Rot. Bonds7

About 2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]amino]-N-(2-phenoxyphenyl)acetamide

2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]amino]-N-(2-phenoxyphenyl)acetamide (PubChem CID 47084614) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is 2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]amino]-N-(2-phenoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]amino]-N-(2-phenoxyphenyl)acetamide
PubChem CID47084614
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Name2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]amino]-N-(2-phenoxyphenyl)acetamide
SMILESCc1nc(C2(NCC(=O)Nc3ccccc3Oc3ccccc3)CCCCCC2)no1
InChIInChI=1S/C24H28N4O3/c1-18-26-23(28-31-18)24(15-9-2-3-10-16-24)25-17-22(29)27-20-13-7-8-14-21(20)30-19-11-5-4-6-12-19/h4-8,11-14,25H,2-3,9-10,15-17H2,1H3,(H,27,29)
InChIKeyKUKOWOFEDIWBSF-UHFFFAOYSA-N
XLogP4.95
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]amino]acetamide
CID 47075222
2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 51098350
N-[1-(4-fluorophenyl)ethyl]-2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]acetamide
CID 86865365
2-[[2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]-2-oxoethyl]amino]benzamide
CID 139010784
2-(2-benzylphenoxy)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]acetamide
CID 55672501
N-ethyl-3-[[2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]acetyl]amino]benzamide
CID 47084608
2-[[4-(4-fluorophenyl)oxan-4-yl]amino]-N-[2-(4-methylphenoxy)phenyl]acetamide
CID 86899757
N-(2-methoxyphenyl)-2-(2-phenoxyanilino)acetamide
CID 7922855
2-(methylamino)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]acetamide
CID 119701756
2-(cyclopropylamino)-N-(2-phenoxyphenyl)acetamide
CID 60647217
2-(4-fluorophenyl)sulfanyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]acetamide
CID 55622293
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-3-[(2-phenylacetyl)amino]propanamide
CID 55538479

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]amino]-N-(2-phenoxyphenyl)acetamide?
The IUPAC name of 2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]amino]-N-(2-phenoxyphenyl)acetamide (CID 47084614) is 2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]amino]-N-(2-phenoxyphenyl)acetamide.
What is the SMILES notation for 2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]amino]-N-(2-phenoxyphenyl)acetamide?
The canonical SMILES for 2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]amino]-N-(2-phenoxyphenyl)acetamide is Cc1nc(C2(NCC(=O)Nc3ccccc3Oc3ccccc3)CCCCCC2)no1.
What is the InChIKey of 2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]amino]-N-(2-phenoxyphenyl)acetamide?
The InChIKey is KUKOWOFEDIWBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-18-26-23(28-31-18)24(15-9-2-3-10-16-24)25-17-22(29)27-20-13-7-8-14-21(20)30-19-11-5-4-6-12-19/h4-8,11-14,25H,2-3,9-10,15-17H2,1H3,(H,27,29).
What are the key properties of 2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]amino]-N-(2-phenoxyphenyl)acetamide?
2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]amino]-N-(2-phenoxyphenyl)acetamide has a molecular weight of 420.51 g/mol, XLogP of 4.95, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]amino]-N-(2-phenoxyphenyl)acetamide is sourced from PubChem (CID 47084614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).