3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(propan-2-ylcarbamoylamino)phenyl]propanamide

C22H25N5O4 — CID 55964947

IUPAC3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(propan-2-ylcarbamoylamino)phenyl]propanamide
SMILESCOc1ccc(-c2noc(CCC(=O)Nc3ccccc3NC(=O)NC(C)C)n2)cc1
InChIInChI=1S/C22H25N5O4/c1-14(2)23-22(29)25-18-7-5-4-6-17(18)24-19(28)12-13-20-26-21(27-31-20)15-8-10-16(30-3)11-9-15/h4-11,14H,12-13H2,1-3H3,(H,24,28)(H2,23,25,29)
InChIKeyGSJOJBWDQYOGIW-UHFFFAOYSA-N
MW423.47 g/mol
LogP3.85
Rot. Bonds8

About 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(propan-2-ylcarbamoylamino)phenyl]propanamide

3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(propan-2-ylcarbamoylamino)phenyl]propanamide (PubChem CID 55964947) has the molecular formula C22H25N5O4 and a molecular weight of 423.47 g/mol. Its IUPAC name is 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(propan-2-ylcarbamoylamino)phenyl]propanamide.

Molecular Properties

Compound Name3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(propan-2-ylcarbamoylamino)phenyl]propanamide
PubChem CID55964947
Molecular FormulaC22H25N5O4
Molecular Weight423.47 g/mol
Exact Mass423.19
IUPAC Name3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(propan-2-ylcarbamoylamino)phenyl]propanamide
SMILESCOc1ccc(-c2noc(CCC(=O)Nc3ccccc3NC(=O)NC(C)C)n2)cc1
InChIInChI=1S/C22H25N5O4/c1-14(2)23-22(29)25-18-7-5-4-6-17(18)24-19(28)12-13-20-26-21(27-31-20)15-8-10-16(30-3)11-9-15/h4-11,14H,12-13H2,1-3H3,(H,24,28)(H2,23,25,29)
InChIKeyGSJOJBWDQYOGIW-UHFFFAOYSA-N
XLogP3.85
TPSA118.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 53.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-ethylphenyl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 20851576
N-[2-(2-chlorophenoxy)phenyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 24597772
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-2-ylpropanamide
CID 17354513
N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100760240
3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropanamide
CID 100762131
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(5-methylhexan-2-yl)propanamide
CID 18134897
N-(2-methoxyphenyl)-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 2000634
N-(2-ethylphenyl)-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100760317
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methyl-1-phenylbutyl)propanamide
CID 24688394
(2R)-2-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-3-methylbutanoic acid
CID 119368338
3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-naphthalen-1-ylpropanamide
CID 100760326
N-[(1R)-1-cyclopropylethyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 42101944

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(propan-2-ylcarbamoylamino)phenyl]propanamide?
The IUPAC name of 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(propan-2-ylcarbamoylamino)phenyl]propanamide (CID 55964947) is 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(propan-2-ylcarbamoylamino)phenyl]propanamide.
What is the SMILES notation for 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(propan-2-ylcarbamoylamino)phenyl]propanamide?
The canonical SMILES for 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(propan-2-ylcarbamoylamino)phenyl]propanamide is COc1ccc(-c2noc(CCC(=O)Nc3ccccc3NC(=O)NC(C)C)n2)cc1.
What is the InChIKey of 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(propan-2-ylcarbamoylamino)phenyl]propanamide?
The InChIKey is GSJOJBWDQYOGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O4/c1-14(2)23-22(29)25-18-7-5-4-6-17(18)24-19(28)12-13-20-26-21(27-31-20)15-8-10-16(30-3)11-9-15/h4-11,14H,12-13H2,1-3H3,(H,24,28)(H2,23,25,29).
What are the key properties of 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(propan-2-ylcarbamoylamino)phenyl]propanamide?
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(propan-2-ylcarbamoylamino)phenyl]propanamide has a molecular weight of 423.47 g/mol, XLogP of 3.85, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(propan-2-ylcarbamoylamino)phenyl]propanamide is sourced from PubChem (CID 55964947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).