3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]propanamide

C23H24ClN3O4 — CID 33081665

IUPAC3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]propanamide
SMILESCOc1ccc(OC)c(CN(C(=O)CCc2nc(-c3ccc(Cl)cc3)no2)C2CC2)c1
InChIInChI=1S/C23H24ClN3O4/c1-29-19-9-10-20(30-2)16(13-19)14-27(18-7-8-18)22(28)12-11-21-25-23(26-31-21)15-3-5-17(24)6-4-15/h3-6,9-10,13,18H,7-8,11-12,14H2,1-2H3
InChIKeyBRYPRVKBEPWVSV-UHFFFAOYSA-N
MW441.92 g/mol
LogP4.53
Rot. Bonds9

About 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]propanamide

3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]propanamide (PubChem CID 33081665) has the molecular formula C23H24ClN3O4 and a molecular weight of 441.92 g/mol. Its IUPAC name is 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]propanamide
PubChem CID33081665
Molecular FormulaC23H24ClN3O4
Molecular Weight441.92 g/mol
Exact Mass441.15
IUPAC Name3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]propanamide
SMILESCOc1ccc(OC)c(CN(C(=O)CCc2nc(-c3ccc(Cl)cc3)no2)C2CC2)c1
InChIInChI=1S/C23H24ClN3O4/c1-29-19-9-10-20(30-2)16(13-19)14-27(18-7-8-18)22(28)12-11-21-25-23(26-31-21)15-3-5-17(24)6-4-15/h3-6,9-10,13,18H,7-8,11-12,14H2,1-2H3
InChIKeyBRYPRVKBEPWVSV-UHFFFAOYSA-N
XLogP4.53
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.92
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 18092733
2-[cyclopropyl-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]amino]acetic acid
CID 119195233
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 33080733
(4-chlorophenyl) 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoate
CID 24592474
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride
CID 119443994
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide
CID 55500294
5-chloro-N-cyclopentyl-2-methoxy-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide
CID 30154373
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(1,1-dioxothiolan-3-yl)-N-ethylpropanamide
CID 134012563
4-amino-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]butanamide;hydrochloride
CID 119286973
(2-bromo-4-chlorophenyl) 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoate
CID 24594435
N-(4-chlorophenyl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 3422358
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-4-(4-methylphenyl)-4-oxobutanamide
CID 33079090

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]propanamide?
The IUPAC name of 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]propanamide (CID 33081665) is 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]propanamide.
What is the SMILES notation for 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]propanamide?
The canonical SMILES for 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]propanamide is COc1ccc(OC)c(CN(C(=O)CCc2nc(-c3ccc(Cl)cc3)no2)C2CC2)c1.
What is the InChIKey of 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]propanamide?
The InChIKey is BRYPRVKBEPWVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O4/c1-29-19-9-10-20(30-2)16(13-19)14-27(18-7-8-18)22(28)12-11-21-25-23(26-31-21)15-3-5-17(24)6-4-15/h3-6,9-10,13,18H,7-8,11-12,14H2,1-2H3.
What are the key properties of 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]propanamide?
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]propanamide has a molecular weight of 441.92 g/mol, XLogP of 4.53, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]propanamide is sourced from PubChem (CID 33081665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).