2-[[(6-fluoro-1-methylindazol-3-yl)methylideneamino]methyl]-N-[1-(1,3-oxazol-2-yl)ethyl]prop-2-enamide

C18H18FN5O2 — CID 123311483

IUPAC2-[[(6-fluoro-1-methylindazol-3-yl)methylideneamino]methyl]-N-[1-(1,3-oxazol-2-yl)ethyl]prop-2-enamide
SMILESC=C(C/N=C/c1nn(C)c2cc(F)ccc12)C(=O)NC(C)c1ncco1
InChIInChI=1S/C18H18FN5O2/c1-11(17(25)22-12(2)18-21-6-7-26-18)9-20-10-15-14-5-4-13(19)8-16(14)24(3)23-15/h4-8,10,12H,1,9H2,2-3H3,(H,22,25)/b20-10+
InChIKeyHYWQFVJOGDUOMN-KEBDBYFISA-N
MW355.37 g/mol
LogP2.55
Rot. Bonds6

About 2-[[(6-fluoro-1-methylindazol-3-yl)methylideneamino]methyl]-N-[1-(1,3-oxazol-2-yl)ethyl]prop-2-enamide

2-[[(6-fluoro-1-methylindazol-3-yl)methylideneamino]methyl]-N-[1-(1,3-oxazol-2-yl)ethyl]prop-2-enamide (PubChem CID 123311483) has the molecular formula C18H18FN5O2 and a molecular weight of 355.37 g/mol. Its IUPAC name is 2-[[(6-fluoro-1-methylindazol-3-yl)methylideneamino]methyl]-N-[1-(1,3-oxazol-2-yl)ethyl]prop-2-enamide.

Molecular Properties

Compound Name2-[[(6-fluoro-1-methylindazol-3-yl)methylideneamino]methyl]-N-[1-(1,3-oxazol-2-yl)ethyl]prop-2-enamide
PubChem CID123311483
Molecular FormulaC18H18FN5O2
Molecular Weight355.37 g/mol
Exact Mass355.14
IUPAC Name2-[[(6-fluoro-1-methylindazol-3-yl)methylideneamino]methyl]-N-[1-(1,3-oxazol-2-yl)ethyl]prop-2-enamide
SMILESC=C(C/N=C/c1nn(C)c2cc(F)ccc12)C(=O)NC(C)c1ncco1
InChIInChI=1S/C18H18FN5O2/c1-11(17(25)22-12(2)18-21-6-7-26-18)9-20-10-15-14-5-4-13(19)8-16(14)24(3)23-15/h4-8,10,12H,1,9H2,2-3H3,(H,22,25)/b20-10+
InChIKeyHYWQFVJOGDUOMN-KEBDBYFISA-N
XLogP2.55
TPSA85.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[(6-fluoro-1-methylindazol-3-yl)methylideneamino]methyl]-N-[1-(1,3-oxazol-2-yl)ethyl]prop-2-enamide?
The IUPAC name of 2-[[(6-fluoro-1-methylindazol-3-yl)methylideneamino]methyl]-N-[1-(1,3-oxazol-2-yl)ethyl]prop-2-enamide (CID 123311483) is 2-[[(6-fluoro-1-methylindazol-3-yl)methylideneamino]methyl]-N-[1-(1,3-oxazol-2-yl)ethyl]prop-2-enamide.
What is the SMILES notation for 2-[[(6-fluoro-1-methylindazol-3-yl)methylideneamino]methyl]-N-[1-(1,3-oxazol-2-yl)ethyl]prop-2-enamide?
The canonical SMILES for 2-[[(6-fluoro-1-methylindazol-3-yl)methylideneamino]methyl]-N-[1-(1,3-oxazol-2-yl)ethyl]prop-2-enamide is C=C(C/N=C/c1nn(C)c2cc(F)ccc12)C(=O)NC(C)c1ncco1.
What is the InChIKey of 2-[[(6-fluoro-1-methylindazol-3-yl)methylideneamino]methyl]-N-[1-(1,3-oxazol-2-yl)ethyl]prop-2-enamide?
The InChIKey is HYWQFVJOGDUOMN-KEBDBYFISA-N. The full InChI is InChI=1S/C18H18FN5O2/c1-11(17(25)22-12(2)18-21-6-7-26-18)9-20-10-15-14-5-4-13(19)8-16(14)24(3)23-15/h4-8,10,12H,1,9H2,2-3H3,(H,22,25)/b20-10+.
What are the key properties of 2-[[(6-fluoro-1-methylindazol-3-yl)methylideneamino]methyl]-N-[1-(1,3-oxazol-2-yl)ethyl]prop-2-enamide?
2-[[(6-fluoro-1-methylindazol-3-yl)methylideneamino]methyl]-N-[1-(1,3-oxazol-2-yl)ethyl]prop-2-enamide has a molecular weight of 355.37 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(6-fluoro-1-methylindazol-3-yl)methylideneamino]methyl]-N-[1-(1,3-oxazol-2-yl)ethyl]prop-2-enamide is sourced from PubChem (CID 123311483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).