3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropanamide

C14H16ClN3O2 — CID 3159544

IUPAC3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCc1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C14H16ClN3O2/c1-9(2)16-12(19)7-8-13-17-14(18-20-13)10-3-5-11(15)6-4-10/h3-6,9H,7-8H2,1-2H3,(H,16,19)
InChIKeyFPKMIXZSMCSYCX-UHFFFAOYSA-N
MW293.75 g/mol
LogP2.85
Rot. Bonds5

About 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropanamide

3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropanamide (PubChem CID 3159544) has the molecular formula C14H16ClN3O2 and a molecular weight of 293.75 g/mol. Its IUPAC name is 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropanamide
PubChem CID3159544
Molecular FormulaC14H16ClN3O2
Molecular Weight293.75 g/mol
Exact Mass293.09
IUPAC Name3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCc1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C14H16ClN3O2/c1-9(2)16-12(19)7-8-13-17-14(18-20-13)10-3-5-11(15)6-4-10/h3-6,9H,7-8H2,1-2H3,(H,16,19)
InChIKeyFPKMIXZSMCSYCX-UHFFFAOYSA-N
XLogP2.85
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropanamide (CID 3159544) is 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropanamide is CC(C)NC(=O)CCc1nc(-c2ccc(Cl)cc2)no1.
What is the InChIKey of 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropanamide?
The InChIKey is FPKMIXZSMCSYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2/c1-9(2)16-12(19)7-8-13-17-14(18-20-13)10-3-5-11(15)6-4-10/h3-6,9H,7-8H2,1-2H3,(H,16,19).
What are the key properties of 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropanamide?
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropanamide has a molecular weight of 293.75 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropanamide is sourced from PubChem (CID 3159544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).