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

C14H17N3O2 — CID 110321394

IUPACN-[2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]propanamide
SMILESCCC(=O)NCCc1nnc(-c2ccc(C)cc2)o1
InChIInChI=1S/C14H17N3O2/c1-3-12(18)15-9-8-13-16-17-14(19-13)11-6-4-10(2)5-7-11/h4-7H,3,8-9H2,1-2H3,(H,15,18)
InChIKeyHGRVVRYIVZMFBX-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.11
Rot. Bonds5

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

N-[2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]propanamide (PubChem CID 110321394) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-[2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]propanamide.

Molecular Properties

Compound NameN-[2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]propanamide
PubChem CID110321394
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-[2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]propanamide
SMILESCCC(=O)NCCc1nnc(-c2ccc(C)cc2)o1
InChIInChI=1S/C14H17N3O2/c1-3-12(18)15-9-8-13-16-17-14(19-13)11-6-4-10(2)5-7-11/h4-7H,3,8-9H2,1-2H3,(H,15,18)
InChIKeyHGRVVRYIVZMFBX-UHFFFAOYSA-N
XLogP2.11
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]ethanesulfonamide
CID 110321465
phenyl N-[2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]carbamate
CID 110321456
N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]propanamide
CID 110321801
N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]propanamide
CID 110320204
N-[2-(4-chlorophenyl)ethyl]-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 52906306
N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]pentanamide
CID 110320370
1-(4-chlorophenyl)-3-[2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]urea
CID 110321438
2,3,4-trifluoro-N-[2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzamide
CID 110321450
N-[2-(4-ethoxyphenoxy)ethyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 8530791
methyl 4-[2-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]ethyl]benzoate
CID 55515291
N-[2-(2-methoxyphenyl)ethyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 51231780
2-(4-methylphenoxy)-N-[2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide
CID 110320557

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]propanamide?
The IUPAC name of N-[2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]propanamide (CID 110321394) is N-[2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]propanamide.
What is the SMILES notation for N-[2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]propanamide?
The canonical SMILES for N-[2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]propanamide is CCC(=O)NCCc1nnc(-c2ccc(C)cc2)o1.
What is the InChIKey of N-[2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]propanamide?
The InChIKey is HGRVVRYIVZMFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-3-12(18)15-9-8-13-16-17-14(19-13)11-6-4-10(2)5-7-11/h4-7H,3,8-9H2,1-2H3,(H,15,18).
What are the key properties of N-[2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]propanamide?
N-[2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]propanamide has a molecular weight of 259.31 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]propanamide is sourced from PubChem (CID 110321394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).