N-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-methylpropanamide

C13H15N3O3 — CID 7679169

IUPACN-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-methylpropanamide
SMILESCOc1ccc(-c2nonc2NC(=O)C(C)C)cc1
InChIInChI=1S/C13H15N3O3/c1-8(2)13(17)14-12-11(15-19-16-12)9-4-6-10(18-3)7-5-9/h4-8H,1-3H3,(H,14,16,17)
InChIKeyWQRIDSQKZMBRGH-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.34
Rot. Bonds4

About N-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-methylpropanamide

N-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-methylpropanamide (PubChem CID 7679169) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is N-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-methylpropanamide
PubChem CID7679169
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC NameN-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-methylpropanamide
SMILESCOc1ccc(-c2nonc2NC(=O)C(C)C)cc1
InChIInChI=1S/C13H15N3O3/c1-8(2)13(17)14-12-11(15-19-16-12)9-4-6-10(18-3)7-5-9/h4-8H,1-3H3,(H,14,16,17)
InChIKeyWQRIDSQKZMBRGH-UHFFFAOYSA-N
XLogP2.34
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-methylpropanamide?
The IUPAC name of N-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-methylpropanamide (CID 7679169) is N-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-methylpropanamide.
What is the SMILES notation for N-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-methylpropanamide?
The canonical SMILES for N-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-methylpropanamide is COc1ccc(-c2nonc2NC(=O)C(C)C)cc1.
What is the InChIKey of N-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-methylpropanamide?
The InChIKey is WQRIDSQKZMBRGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-8(2)13(17)14-12-11(15-19-16-12)9-4-6-10(18-3)7-5-9/h4-8H,1-3H3,(H,14,16,17).
What are the key properties of N-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-methylpropanamide?
N-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-methylpropanamide has a molecular weight of 261.28 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]-2-methylpropanamide is sourced from PubChem (CID 7679169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).