(Z)-3-amino-2-formyl-N-methyl-3-(4-methyl-1,2-oxazol-3-yl)prop-2-enimidoyl chloride

C9H10ClN3O2 — CID 166083483

IUPAC(Z)-3-amino-2-formyl-N-methyl-3-(4-methyl-1,2-oxazol-3-yl)prop-2-enimidoyl chloride
SMILESC/N=C(Cl)/C(C=O)=C(\N)c1nocc1C
InChIInChI=1S/C9H10ClN3O2/c1-5-4-15-13-8(5)7(11)6(3-14)9(10)12-2/h3-4H,11H2,1-2H3/b7-6-,12-9-
InChIKeySJPZQFRCZDLXMR-OMBMMOEUSA-N
MW227.65 g/mol
LogP1.12
Rot. Bonds3

About (Z)-3-amino-2-formyl-N-methyl-3-(4-methyl-1,2-oxazol-3-yl)prop-2-enimidoyl chloride

(Z)-3-amino-2-formyl-N-methyl-3-(4-methyl-1,2-oxazol-3-yl)prop-2-enimidoyl chloride (PubChem CID 166083483) has the molecular formula C9H10ClN3O2 and a molecular weight of 227.65 g/mol. Its IUPAC name is (Z)-3-amino-2-formyl-N-methyl-3-(4-methyl-1,2-oxazol-3-yl)prop-2-enimidoyl chloride.

Molecular Properties

Compound Name(Z)-3-amino-2-formyl-N-methyl-3-(4-methyl-1,2-oxazol-3-yl)prop-2-enimidoyl chloride
PubChem CID166083483
Molecular FormulaC9H10ClN3O2
Molecular Weight227.65 g/mol
Exact Mass227.05
IUPAC Name(Z)-3-amino-2-formyl-N-methyl-3-(4-methyl-1,2-oxazol-3-yl)prop-2-enimidoyl chloride
SMILESC/N=C(Cl)/C(C=O)=C(\N)c1nocc1C
InChIInChI=1S/C9H10ClN3O2/c1-5-4-15-13-8(5)7(11)6(3-14)9(10)12-2/h3-4H,11H2,1-2H3/b7-6-,12-9-
InChIKeySJPZQFRCZDLXMR-OMBMMOEUSA-N
XLogP1.12
TPSA81.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.65
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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 (Z)-3-amino-2-formyl-N-methyl-3-(4-methyl-1,2-oxazol-3-yl)prop-2-enimidoyl chloride?
The IUPAC name of (Z)-3-amino-2-formyl-N-methyl-3-(4-methyl-1,2-oxazol-3-yl)prop-2-enimidoyl chloride (CID 166083483) is (Z)-3-amino-2-formyl-N-methyl-3-(4-methyl-1,2-oxazol-3-yl)prop-2-enimidoyl chloride.
What is the SMILES notation for (Z)-3-amino-2-formyl-N-methyl-3-(4-methyl-1,2-oxazol-3-yl)prop-2-enimidoyl chloride?
The canonical SMILES for (Z)-3-amino-2-formyl-N-methyl-3-(4-methyl-1,2-oxazol-3-yl)prop-2-enimidoyl chloride is C/N=C(Cl)/C(C=O)=C(\N)c1nocc1C.
What is the InChIKey of (Z)-3-amino-2-formyl-N-methyl-3-(4-methyl-1,2-oxazol-3-yl)prop-2-enimidoyl chloride?
The InChIKey is SJPZQFRCZDLXMR-OMBMMOEUSA-N. The full InChI is InChI=1S/C9H10ClN3O2/c1-5-4-15-13-8(5)7(11)6(3-14)9(10)12-2/h3-4H,11H2,1-2H3/b7-6-,12-9-.
What are the key properties of (Z)-3-amino-2-formyl-N-methyl-3-(4-methyl-1,2-oxazol-3-yl)prop-2-enimidoyl chloride?
(Z)-3-amino-2-formyl-N-methyl-3-(4-methyl-1,2-oxazol-3-yl)prop-2-enimidoyl chloride has a molecular weight of 227.65 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-amino-2-formyl-N-methyl-3-(4-methyl-1,2-oxazol-3-yl)prop-2-enimidoyl chloride is sourced from PubChem (CID 166083483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).