N-[5-[5-[(2S)-azetidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]formamide

C13H14N4O2 — CID 139515216

IUPACN-[5-[5-[(2S)-azetidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]formamide
SMILESCc1ccc(-c2noc([C@@H]3CCN3)n2)cc1NC=O
InChIInChI=1S/C13H14N4O2/c1-8-2-3-9(6-11(8)15-7-18)12-16-13(19-17-12)10-4-5-14-10/h2-3,6-7,10,14H,4-5H2,1H3,(H,15,18)/t10-/m0/s1
InChIKeyUSTTUOPSICWAFH-JTQLQIEISA-N
MW258.28 g/mol
LogP1.65
Rot. Bonds4

About N-[5-[5-[(2S)-azetidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]formamide

N-[5-[5-[(2S)-azetidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]formamide (PubChem CID 139515216) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is N-[5-[5-[(2S)-azetidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]formamide.

Molecular Properties

Compound NameN-[5-[5-[(2S)-azetidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]formamide
PubChem CID139515216
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC NameN-[5-[5-[(2S)-azetidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]formamide
SMILESCc1ccc(-c2noc([C@@H]3CCN3)n2)cc1NC=O
InChIInChI=1S/C13H14N4O2/c1-8-2-3-9(6-11(8)15-7-18)12-16-13(19-17-12)10-4-5-14-10/h2-3,6-7,10,14H,4-5H2,1H3,(H,15,18)/t10-/m0/s1
InChIKeyUSTTUOPSICWAFH-JTQLQIEISA-N
XLogP1.65
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-[5-[(2S)-azetidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]formamide?
The IUPAC name of N-[5-[5-[(2S)-azetidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]formamide (CID 139515216) is N-[5-[5-[(2S)-azetidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]formamide.
What is the SMILES notation for N-[5-[5-[(2S)-azetidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]formamide?
The canonical SMILES for N-[5-[5-[(2S)-azetidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]formamide is Cc1ccc(-c2noc([C@@H]3CCN3)n2)cc1NC=O.
What is the InChIKey of N-[5-[5-[(2S)-azetidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]formamide?
The InChIKey is USTTUOPSICWAFH-JTQLQIEISA-N. The full InChI is InChI=1S/C13H14N4O2/c1-8-2-3-9(6-11(8)15-7-18)12-16-13(19-17-12)10-4-5-14-10/h2-3,6-7,10,14H,4-5H2,1H3,(H,15,18)/t10-/m0/s1.
What are the key properties of N-[5-[5-[(2S)-azetidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]formamide?
N-[5-[5-[(2S)-azetidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]formamide has a molecular weight of 258.28 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-[(2S)-azetidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]formamide is sourced from PubChem (CID 139515216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).