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

C15H17N3O3 — CID 15992673

IUPACN-cyclopropyl-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCOc1ccc(-c2noc(CCC(=O)NC3CC3)n2)cc1
InChIInChI=1S/C15H17N3O3/c1-20-12-6-2-10(3-7-12)15-17-14(21-18-15)9-8-13(19)16-11-4-5-11/h2-3,6-7,11H,4-5,8-9H2,1H3,(H,16,19)
InChIKeyDJNUGURYAUIGBQ-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.96
Rot. Bonds6

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

N-cyclopropyl-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 15992673) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-cyclopropyl-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
PubChem CID15992673
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC NameN-cyclopropyl-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCOc1ccc(-c2noc(CCC(=O)NC3CC3)n2)cc1
InChIInChI=1S/C15H17N3O3/c1-20-12-6-2-10(3-7-12)15-17-14(21-18-15)9-8-13(19)16-11-4-5-11/h2-3,6-7,11H,4-5,8-9H2,1H3,(H,16,19)
InChIKeyDJNUGURYAUIGBQ-UHFFFAOYSA-N
XLogP1.96
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The IUPAC name of N-cyclopropyl-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide (CID 15992673) is N-cyclopropyl-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide.
What is the SMILES notation for N-cyclopropyl-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The canonical SMILES for N-cyclopropyl-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide is COc1ccc(-c2noc(CCC(=O)NC3CC3)n2)cc1.
What is the InChIKey of N-cyclopropyl-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The InChIKey is DJNUGURYAUIGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-20-12-6-2-10(3-7-12)15-17-14(21-18-15)9-8-13(19)16-11-4-5-11/h2-3,6-7,11H,4-5,8-9H2,1H3,(H,16,19).
What are the key properties of N-cyclopropyl-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
N-cyclopropyl-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 287.32 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 15992673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).