N-[2-(4-chlorophenyl)ethyl]-N-(cyclopropylmethyl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide

C24H26ClN3O2 — CID 86963374

IUPACN-[2-(4-chlorophenyl)ethyl]-N-(cyclopropylmethyl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
SMILESCc1ccc(-c2nnc(CCC(=O)N(CCc3ccc(Cl)cc3)CC3CC3)o2)cc1
InChIInChI=1S/C24H26ClN3O2/c1-17-2-8-20(9-3-17)24-27-26-22(30-24)12-13-23(29)28(16-19-4-5-19)15-14-18-6-10-21(25)11-7-18/h2-3,6-11,19H,4-5,12-16H2,1H3
InChIKeyYSHNTUZGTOLSFB-UHFFFAOYSA-N
MW423.94 g/mol
LogP5.11
Rot. Bonds9

About N-[2-(4-chlorophenyl)ethyl]-N-(cyclopropylmethyl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide

N-[2-(4-chlorophenyl)ethyl]-N-(cyclopropylmethyl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide (PubChem CID 86963374) has the molecular formula C24H26ClN3O2 and a molecular weight of 423.94 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-N-(cyclopropylmethyl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-N-(cyclopropylmethyl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
PubChem CID86963374
Molecular FormulaC24H26ClN3O2
Molecular Weight423.94 g/mol
Exact Mass423.17
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-N-(cyclopropylmethyl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
SMILESCc1ccc(-c2nnc(CCC(=O)N(CCc3ccc(Cl)cc3)CC3CC3)o2)cc1
InChIInChI=1S/C24H26ClN3O2/c1-17-2-8-20(9-3-17)24-27-26-22(30-24)12-13-23(29)28(16-19-4-5-19)15-14-18-6-10-21(25)11-7-18/h2-3,6-11,19H,4-5,12-16H2,1H3
InChIKeyYSHNTUZGTOLSFB-UHFFFAOYSA-N
XLogP5.11
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.94
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 52906306
(4-chlorophenyl) 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoate
CID 134049813
N-ethyl-N-[[(3R)-oxolan-3-yl]methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 94181333
N-benzyl-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-prop-2-enylpropanamide
CID 55599969
N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 18115741
N,N-diethyl-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334016
3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-(3-methylpiperidin-1-yl)propan-1-one
CID 110334636
N-[1-(4-chlorophenyl)-2-methylpropyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 24600996
1-(4-chlorophenyl)-N-[2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]methanesulfonamide
CID 110321497
N-[2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1-(4-methylphenyl)methanesulfonamide
CID 110321691
N-cycloheptyl-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 9082261
N-(5-chloro-2-methylphenyl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 51229815

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-N-(cyclopropylmethyl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-N-(cyclopropylmethyl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide (CID 86963374) is N-[2-(4-chlorophenyl)ethyl]-N-(cyclopropylmethyl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-N-(cyclopropylmethyl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-N-(cyclopropylmethyl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide is Cc1ccc(-c2nnc(CCC(=O)N(CCc3ccc(Cl)cc3)CC3CC3)o2)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-N-(cyclopropylmethyl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide?
The InChIKey is YSHNTUZGTOLSFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN3O2/c1-17-2-8-20(9-3-17)24-27-26-22(30-24)12-13-23(29)28(16-19-4-5-19)15-14-18-6-10-21(25)11-7-18/h2-3,6-11,19H,4-5,12-16H2,1H3.
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-N-(cyclopropylmethyl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide?
N-[2-(4-chlorophenyl)ethyl]-N-(cyclopropylmethyl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide has a molecular weight of 423.94 g/mol, XLogP of 5.11, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-N-(cyclopropylmethyl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide is sourced from PubChem (CID 86963374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).