[(Z)-1-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]ethylideneamino] cyclopropanecarboxylate

C15H13ClN2O3 — CID 6346448

IUPAC[(Z)-1-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]ethylideneamino] cyclopropanecarboxylate
SMILESC/C(=N/OC(=O)C1CC1)c1cc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C15H13ClN2O3/c1-9(17-21-15(19)11-2-3-11)14-8-13(18-20-14)10-4-6-12(16)7-5-10/h4-8,11H,2-3H2,1H3/b17-9-
InChIKeySYQJJQKLTVXVLC-MFOYZWKCSA-N
MW304.73 g/mol
LogP3.67
Rot. Bonds4

About [(Z)-1-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]ethylideneamino] cyclopropanecarboxylate

[(Z)-1-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]ethylideneamino] cyclopropanecarboxylate (PubChem CID 6346448) has the molecular formula C15H13ClN2O3 and a molecular weight of 304.73 g/mol. Its IUPAC name is [(Z)-1-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]ethylideneamino] cyclopropanecarboxylate.

Molecular Properties

Compound Name[(Z)-1-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]ethylideneamino] cyclopropanecarboxylate
PubChem CID6346448
Molecular FormulaC15H13ClN2O3
Molecular Weight304.73 g/mol
Exact Mass304.06
IUPAC Name[(Z)-1-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]ethylideneamino] cyclopropanecarboxylate
SMILESC/C(=N/OC(=O)C1CC1)c1cc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C15H13ClN2O3/c1-9(17-21-15(19)11-2-3-11)14-8-13(18-20-14)10-4-6-12(16)7-5-10/h4-8,11H,2-3H2,1H3/b17-9-
InChIKeySYQJJQKLTVXVLC-MFOYZWKCSA-N
XLogP3.67
TPSA64.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.73
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(p-Chlorophenyl)-5-phenylisoxazole
CID 279128
5-Methyl-3-phenyl-1,2-oxazole
CID 136803
4-Isoxazolecarboxylic acid, 3-(2-chlorophenyl)-5-methyl-
CID 90203
4-Isoxazolecarbonyl chloride, 3-(2-chlorophenyl)-5-methyl-
CID 96590
3-(2-Chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 653647
5-Tert-butyl-3-phenyl-1,2-oxazole
CID 2853311
Isoxazole, 5-bromomethyl-3-(p-chlorophenyl)-
CID 21369
5-Amino-3-(4-chlorophenyl)isoxazole
CID 2104062
1-[3-(2,4-Dichlorophenyl)-5-methylisoxazol-4-yl]ethan-1-one
CID 2745589
3-(4-Chlorophenyl)-5-{[(3-methylbutanoyl)oxy]ethanimidoyl}isoxazole
CID 6385992
O3-(3-chlorobenzoyl)-5-methylisoxazole-3-carbohydroximamide
CID 9580957
Ethyl 5-{[(4-chlorobenzoyl)oxy]ethanimidoyl}isoxazole-3-carboxylate
CID 9580971

Frequently Asked Questions

What is the IUPAC name of [(Z)-1-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]ethylideneamino] cyclopropanecarboxylate?
The IUPAC name of [(Z)-1-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]ethylideneamino] cyclopropanecarboxylate (CID 6346448) is [(Z)-1-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]ethylideneamino] cyclopropanecarboxylate.
What is the SMILES notation for [(Z)-1-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]ethylideneamino] cyclopropanecarboxylate?
The canonical SMILES for [(Z)-1-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]ethylideneamino] cyclopropanecarboxylate is C/C(=N/OC(=O)C1CC1)c1cc(-c2ccc(Cl)cc2)no1.
What is the InChIKey of [(Z)-1-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]ethylideneamino] cyclopropanecarboxylate?
The InChIKey is SYQJJQKLTVXVLC-MFOYZWKCSA-N. The full InChI is InChI=1S/C15H13ClN2O3/c1-9(17-21-15(19)11-2-3-11)14-8-13(18-20-14)10-4-6-12(16)7-5-10/h4-8,11H,2-3H2,1H3/b17-9-.
What are the key properties of [(Z)-1-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]ethylideneamino] cyclopropanecarboxylate?
[(Z)-1-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]ethylideneamino] cyclopropanecarboxylate has a molecular weight of 304.73 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]ethylideneamino] cyclopropanecarboxylate is sourced from PubChem (CID 6346448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).