2-methanimidoyl-N-propan-2-yl-5-[3-(1-prop-1-en-2-ylazetidin-3-yl)-1,2,4-oxadiazol-5-yl]aniline

C18H23N5O — CID 142338052

IUPAC2-methanimidoyl-N-propan-2-yl-5-[3-(1-prop-1-en-2-ylazetidin-3-yl)-1,2,4-oxadiazol-5-yl]aniline
SMILES[H]/N=C/c1ccc(-c2nc(C3CN(C(=C)C)C3)no2)cc1NC(C)C
InChIInChI=1S/C18H23N5O/c1-11(2)20-16-7-13(5-6-14(16)8-19)18-21-17(22-24-18)15-9-23(10-15)12(3)4/h5-8,11,15,19-20H,3,9-10H2,1-2,4H3/b19-8+
InChIKeySLICJZFEAVALFN-UFWORHAWSA-N
MW325.42 g/mol
LogP3.49
Rot. Bonds6

About 2-methanimidoyl-N-propan-2-yl-5-[3-(1-prop-1-en-2-ylazetidin-3-yl)-1,2,4-oxadiazol-5-yl]aniline

2-methanimidoyl-N-propan-2-yl-5-[3-(1-prop-1-en-2-ylazetidin-3-yl)-1,2,4-oxadiazol-5-yl]aniline (PubChem CID 142338052) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is 2-methanimidoyl-N-propan-2-yl-5-[3-(1-prop-1-en-2-ylazetidin-3-yl)-1,2,4-oxadiazol-5-yl]aniline.

Molecular Properties

Compound Name2-methanimidoyl-N-propan-2-yl-5-[3-(1-prop-1-en-2-ylazetidin-3-yl)-1,2,4-oxadiazol-5-yl]aniline
PubChem CID142338052
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name2-methanimidoyl-N-propan-2-yl-5-[3-(1-prop-1-en-2-ylazetidin-3-yl)-1,2,4-oxadiazol-5-yl]aniline
SMILES[H]/N=C/c1ccc(-c2nc(C3CN(C(=C)C)C3)no2)cc1NC(C)C
InChIInChI=1S/C18H23N5O/c1-11(2)20-16-7-13(5-6-14(16)8-19)18-21-17(22-24-18)15-9-23(10-15)12(3)4/h5-8,11,15,19-20H,3,9-10H2,1-2,4H3/b19-8+
InChIKeySLICJZFEAVALFN-UFWORHAWSA-N
XLogP3.49
TPSA78.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methanimidoyl-N-propan-2-yl-5-[3-(1-prop-1-en-2-ylazetidin-3-yl)-1,2,4-oxadiazol-5-yl]aniline?
The IUPAC name of 2-methanimidoyl-N-propan-2-yl-5-[3-(1-prop-1-en-2-ylazetidin-3-yl)-1,2,4-oxadiazol-5-yl]aniline (CID 142338052) is 2-methanimidoyl-N-propan-2-yl-5-[3-(1-prop-1-en-2-ylazetidin-3-yl)-1,2,4-oxadiazol-5-yl]aniline.
What is the SMILES notation for 2-methanimidoyl-N-propan-2-yl-5-[3-(1-prop-1-en-2-ylazetidin-3-yl)-1,2,4-oxadiazol-5-yl]aniline?
The canonical SMILES for 2-methanimidoyl-N-propan-2-yl-5-[3-(1-prop-1-en-2-ylazetidin-3-yl)-1,2,4-oxadiazol-5-yl]aniline is [H]/N=C/c1ccc(-c2nc(C3CN(C(=C)C)C3)no2)cc1NC(C)C.
What is the InChIKey of 2-methanimidoyl-N-propan-2-yl-5-[3-(1-prop-1-en-2-ylazetidin-3-yl)-1,2,4-oxadiazol-5-yl]aniline?
The InChIKey is SLICJZFEAVALFN-UFWORHAWSA-N. The full InChI is InChI=1S/C18H23N5O/c1-11(2)20-16-7-13(5-6-14(16)8-19)18-21-17(22-24-18)15-9-23(10-15)12(3)4/h5-8,11,15,19-20H,3,9-10H2,1-2,4H3/b19-8+.
What are the key properties of 2-methanimidoyl-N-propan-2-yl-5-[3-(1-prop-1-en-2-ylazetidin-3-yl)-1,2,4-oxadiazol-5-yl]aniline?
2-methanimidoyl-N-propan-2-yl-5-[3-(1-prop-1-en-2-ylazetidin-3-yl)-1,2,4-oxadiazol-5-yl]aniline has a molecular weight of 325.42 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methanimidoyl-N-propan-2-yl-5-[3-(1-prop-1-en-2-ylazetidin-3-yl)-1,2,4-oxadiazol-5-yl]aniline is sourced from PubChem (CID 142338052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).