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

C12H13N3O3 — CID 7692601

IUPACN-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]propanamide
SMILESCCC(=O)Nc1nonc1-c1ccc(OC)cc1
InChIInChI=1S/C12H13N3O3/c1-3-10(16)13-12-11(14-18-15-12)8-4-6-9(17-2)7-5-8/h4-7H,3H2,1-2H3,(H,13,15,16)
InChIKeyYHWSJNUQINFECJ-UHFFFAOYSA-N
MW247.25 g/mol
LogP2.09
Rot. Bonds4

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

N-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]propanamide (PubChem CID 7692601) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is N-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]propanamide.

Molecular Properties

Compound NameN-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]propanamide
PubChem CID7692601
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC NameN-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]propanamide
SMILESCCC(=O)Nc1nonc1-c1ccc(OC)cc1
InChIInChI=1S/C12H13N3O3/c1-3-10(16)13-12-11(14-18-15-12)8-4-6-9(17-2)7-5-8/h4-7H,3H2,1-2H3,(H,13,15,16)
InChIKeyYHWSJNUQINFECJ-UHFFFAOYSA-N
XLogP2.09
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 52.09
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]propanamide?
The IUPAC name of N-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]propanamide (CID 7692601) is N-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]propanamide.
What is the SMILES notation for N-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]propanamide?
The canonical SMILES for N-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]propanamide is CCC(=O)Nc1nonc1-c1ccc(OC)cc1.
What is the InChIKey of N-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]propanamide?
The InChIKey is YHWSJNUQINFECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c1-3-10(16)13-12-11(14-18-15-12)8-4-6-9(17-2)7-5-8/h4-7H,3H2,1-2H3,(H,13,15,16).
What are the key properties of N-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]propanamide?
N-[4-(4-methoxyphenyl)-1,2,5-oxadiazol-3-yl]propanamide has a molecular weight of 247.25 g/mol, XLogP of 2.09, 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]propanamide is sourced from PubChem (CID 7692601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).