N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2-(propan-2-ylamino)acetamide

C14H18N4O2 — CID 60841655

IUPACN-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2-(propan-2-ylamino)acetamide
SMILESCc1noc(-c2ccccc2NC(=O)CNC(C)C)n1
InChIInChI=1S/C14H18N4O2/c1-9(2)15-8-13(19)17-12-7-5-4-6-11(12)14-16-10(3)18-20-14/h4-7,9,15H,8H2,1-3H3,(H,17,19)
InChIKeyKFCJMWRSOXCYHO-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.98
Rot. Bonds5

About N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2-(propan-2-ylamino)acetamide

N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2-(propan-2-ylamino)acetamide (PubChem CID 60841655) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2-(propan-2-ylamino)acetamide.

Molecular Properties

Compound NameN-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2-(propan-2-ylamino)acetamide
PubChem CID60841655
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC NameN-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2-(propan-2-ylamino)acetamide
SMILESCc1noc(-c2ccccc2NC(=O)CNC(C)C)n1
InChIInChI=1S/C14H18N4O2/c1-9(2)15-8-13(19)17-12-7-5-4-6-11(12)14-16-10(3)18-20-14/h4-7,9,15H,8H2,1-3H3,(H,17,19)
InChIKeyKFCJMWRSOXCYHO-UHFFFAOYSA-N
XLogP1.98
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2-(propan-2-ylamino)acetamide?
The IUPAC name of N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2-(propan-2-ylamino)acetamide (CID 60841655) is N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2-(propan-2-ylamino)acetamide.
What is the SMILES notation for N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2-(propan-2-ylamino)acetamide?
The canonical SMILES for N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2-(propan-2-ylamino)acetamide is Cc1noc(-c2ccccc2NC(=O)CNC(C)C)n1.
What is the InChIKey of N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2-(propan-2-ylamino)acetamide?
The InChIKey is KFCJMWRSOXCYHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-9(2)15-8-13(19)17-12-7-5-4-6-11(12)14-16-10(3)18-20-14/h4-7,9,15H,8H2,1-3H3,(H,17,19).
What are the key properties of N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2-(propan-2-ylamino)acetamide?
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2-(propan-2-ylamino)acetamide has a molecular weight of 274.32 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2-(propan-2-ylamino)acetamide is sourced from PubChem (CID 60841655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).