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

C24H29N3O4 — CID 18205510

IUPACN-(3,4-dipropoxyphenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCCCOc1ccc(NC(=O)CCc2nc(-c3ccc(C)cc3)no2)cc1OCCC
InChIInChI=1S/C24H29N3O4/c1-4-14-29-20-11-10-19(16-21(20)30-15-5-2)25-22(28)12-13-23-26-24(27-31-23)18-8-6-17(3)7-9-18/h6-11,16H,4-5,12-15H2,1-3H3,(H,25,28)
InChIKeyCOOFEWJCIDIJGU-UHFFFAOYSA-N
MW423.51 g/mol
LogP5.19
Rot. Bonds11

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

N-(3,4-dipropoxyphenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 18205510) has the molecular formula C24H29N3O4 and a molecular weight of 423.51 g/mol. Its IUPAC name is N-(3,4-dipropoxyphenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

Compound NameN-(3,4-dipropoxyphenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
PubChem CID18205510
Molecular FormulaC24H29N3O4
Molecular Weight423.51 g/mol
Exact Mass423.22
IUPAC NameN-(3,4-dipropoxyphenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCCCOc1ccc(NC(=O)CCc2nc(-c3ccc(C)cc3)no2)cc1OCCC
InChIInChI=1S/C24H29N3O4/c1-4-14-29-20-11-10-19(16-21(20)30-15-5-2)25-22(28)12-13-23-26-24(27-31-23)18-8-6-17(3)7-9-18/h6-11,16H,4-5,12-15H2,1-3H3,(H,25,28)
InChIKeyCOOFEWJCIDIJGU-UHFFFAOYSA-N
XLogP5.19
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.51
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-difluorophenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 9080473
N-(4-methylphenyl)-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100762262
3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide
CID 3826214
3-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide
CID 2989774
3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-nitrophenyl)propanamide
CID 3748253
3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylphenyl)propanamide
CID 3723670
N-(3-chloro-4-methoxyphenyl)-3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 9083038
N-(4-methylphenyl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 23612263
N-(3-chloro-4-methylphenyl)-3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 26688026
3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methyl-4-pyridin-3-yloxyphenyl)propanamide
CID 60581294
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(4-phenylphenyl)propanamide
CID 9192093
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 17354653

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dipropoxyphenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The IUPAC name of N-(3,4-dipropoxyphenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide (CID 18205510) is N-(3,4-dipropoxyphenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide.
What is the SMILES notation for N-(3,4-dipropoxyphenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The canonical SMILES for N-(3,4-dipropoxyphenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide is CCCOc1ccc(NC(=O)CCc2nc(-c3ccc(C)cc3)no2)cc1OCCC.
What is the InChIKey of N-(3,4-dipropoxyphenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The InChIKey is COOFEWJCIDIJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4/c1-4-14-29-20-11-10-19(16-21(20)30-15-5-2)25-22(28)12-13-23-26-24(27-31-23)18-8-6-17(3)7-9-18/h6-11,16H,4-5,12-15H2,1-3H3,(H,25,28).
What are the key properties of N-(3,4-dipropoxyphenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
N-(3,4-dipropoxyphenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 423.51 g/mol, XLogP of 5.19, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dipropoxyphenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 18205510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).