N-[(2-chlorophenyl)methyl]-3-[3-(4-propylphenyl)-2H-oxadiazol-5-yl]propanamide

C21H24ClN3O2 — CID 69187286

IUPACN-[(2-chlorophenyl)methyl]-3-[3-(4-propylphenyl)-2H-oxadiazol-5-yl]propanamide
SMILESCCCc1ccc(N2C=C(CCC(=O)NCc3ccccc3Cl)ON2)cc1
InChIInChI=1S/C21H24ClN3O2/c1-2-5-16-8-10-18(11-9-16)25-15-19(27-24-25)12-13-21(26)23-14-17-6-3-4-7-20(17)22/h3-4,6-11,15,24H,2,5,12-14H2,1H3,(H,23,26)
InChIKeySWKLHKLHWHQSIG-UHFFFAOYSA-N
MW385.90 g/mol
LogP4.49
Rot. Bonds8

About N-[(2-chlorophenyl)methyl]-3-[3-(4-propylphenyl)-2H-oxadiazol-5-yl]propanamide

N-[(2-chlorophenyl)methyl]-3-[3-(4-propylphenyl)-2H-oxadiazol-5-yl]propanamide (PubChem CID 69187286) has the molecular formula C21H24ClN3O2 and a molecular weight of 385.90 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-3-[3-(4-propylphenyl)-2H-oxadiazol-5-yl]propanamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-3-[3-(4-propylphenyl)-2H-oxadiazol-5-yl]propanamide
PubChem CID69187286
Molecular FormulaC21H24ClN3O2
Molecular Weight385.90 g/mol
Exact Mass385.16
IUPAC NameN-[(2-chlorophenyl)methyl]-3-[3-(4-propylphenyl)-2H-oxadiazol-5-yl]propanamide
SMILESCCCc1ccc(N2C=C(CCC(=O)NCc3ccccc3Cl)ON2)cc1
InChIInChI=1S/C21H24ClN3O2/c1-2-5-16-8-10-18(11-9-16)25-15-19(27-24-25)12-13-21(26)23-14-17-6-3-4-7-20(17)22/h3-4,6-11,15,24H,2,5,12-14H2,1H3,(H,23,26)
InChIKeySWKLHKLHWHQSIG-UHFFFAOYSA-N
XLogP4.49
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.90
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-3-[3-(4-propylphenyl)-2H-oxadiazol-5-yl]propanamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-3-[3-(4-propylphenyl)-2H-oxadiazol-5-yl]propanamide (CID 69187286) is N-[(2-chlorophenyl)methyl]-3-[3-(4-propylphenyl)-2H-oxadiazol-5-yl]propanamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-3-[3-(4-propylphenyl)-2H-oxadiazol-5-yl]propanamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-3-[3-(4-propylphenyl)-2H-oxadiazol-5-yl]propanamide is CCCc1ccc(N2C=C(CCC(=O)NCc3ccccc3Cl)ON2)cc1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-3-[3-(4-propylphenyl)-2H-oxadiazol-5-yl]propanamide?
The InChIKey is SWKLHKLHWHQSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O2/c1-2-5-16-8-10-18(11-9-16)25-15-19(27-24-25)12-13-21(26)23-14-17-6-3-4-7-20(17)22/h3-4,6-11,15,24H,2,5,12-14H2,1H3,(H,23,26).
What are the key properties of N-[(2-chlorophenyl)methyl]-3-[3-(4-propylphenyl)-2H-oxadiazol-5-yl]propanamide?
N-[(2-chlorophenyl)methyl]-3-[3-(4-propylphenyl)-2H-oxadiazol-5-yl]propanamide has a molecular weight of 385.90 g/mol, XLogP of 4.49, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-3-[3-(4-propylphenyl)-2H-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 69187286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).