ethyl (2Z)-2-(3-cyclohexyl-5-phenyl-1,2-oxazol-4-ylidene)acetate

C19H23NO3 — CID 138970648

IUPACethyl (2Z)-2-(3-cyclohexyl-5-phenyl-1,2-oxazol-4-ylidene)acetate
SMILESCCOC(=O)/C=C1/C(C2CCCCC2)=NOC1c1ccccc1
InChIInChI=1S/C19H23NO3/c1-2-22-17(21)13-16-18(14-9-5-3-6-10-14)20-23-19(16)15-11-7-4-8-12-15/h4,7-8,11-14,19H,2-3,5-6,9-10H2,1H3/b16-13-
InChIKeyUSRPJMAHSACFAO-SSZFMOIBSA-N
MW313.40 g/mol
LogP4.18
Rot. Bonds4

About ethyl (2Z)-2-(3-cyclohexyl-5-phenyl-1,2-oxazol-4-ylidene)acetate

ethyl (2Z)-2-(3-cyclohexyl-5-phenyl-1,2-oxazol-4-ylidene)acetate (PubChem CID 138970648) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is ethyl (2Z)-2-(3-cyclohexyl-5-phenyl-1,2-oxazol-4-ylidene)acetate.

Molecular Properties

Compound Nameethyl (2Z)-2-(3-cyclohexyl-5-phenyl-1,2-oxazol-4-ylidene)acetate
PubChem CID138970648
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Nameethyl (2Z)-2-(3-cyclohexyl-5-phenyl-1,2-oxazol-4-ylidene)acetate
SMILESCCOC(=O)/C=C1/C(C2CCCCC2)=NOC1c1ccccc1
InChIInChI=1S/C19H23NO3/c1-2-22-17(21)13-16-18(14-9-5-3-6-10-14)20-23-19(16)15-11-7-4-8-12-15/h4,7-8,11-14,19H,2-3,5-6,9-10H2,1H3/b16-13-
InChIKeyUSRPJMAHSACFAO-SSZFMOIBSA-N
XLogP4.18
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(3-phenylcyclobutylidene)acetate
CID 178132588
ethyl (2E)-2-(5-phenyloxolan-2-ylidene)acetate
CID 117046633
benzene-1,2-diamine;ethyl 3-(4-cyclohexylphenyl)prop-2-enoate
CID 174740331
cyclohexylbenzene;(2-ethoxy-2-oxoacetyl)azaniumylideneazanide
CID 175101977
tert-butyl (2Z)-2-(3,5-diphenyl-1,2-oxazol-4-ylidene)acetate
CID 138972605
ethyl 3-phenylprop-2-enoate;7-oxabicyclo[2.2.1]hept-2-ene
CID 174846165
2-(2-ethoxy-2-oxoethylidene)cyclohexane-1-carboxylic acid
CID 137371720
ethyl (2S)-2-phenylcyclohexane-1-carboxylate
CID 101094608
ethyl 2-oxo-2-(3-phenylazepan-1-yl)acetate
CID 90608416
4-O-[2-(4-cyclohexylphenyl)-2-oxoethyl] 1-O-ethyl (E)-but-2-enedioate
CID 6066141
ethyl 4-phenylcyclohexane-1-carboxylate
CID 15047124
ethyl 2-[5-cyclohexyl-1-(3,3-dimethyl-2-oxobutyl)-2-oxo-1,3,4-benzotriazepin-3-yl]acetate
CID 11618776

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-(3-cyclohexyl-5-phenyl-1,2-oxazol-4-ylidene)acetate?
The IUPAC name of ethyl (2Z)-2-(3-cyclohexyl-5-phenyl-1,2-oxazol-4-ylidene)acetate (CID 138970648) is ethyl (2Z)-2-(3-cyclohexyl-5-phenyl-1,2-oxazol-4-ylidene)acetate.
What is the SMILES notation for ethyl (2Z)-2-(3-cyclohexyl-5-phenyl-1,2-oxazol-4-ylidene)acetate?
The canonical SMILES for ethyl (2Z)-2-(3-cyclohexyl-5-phenyl-1,2-oxazol-4-ylidene)acetate is CCOC(=O)/C=C1/C(C2CCCCC2)=NOC1c1ccccc1.
What is the InChIKey of ethyl (2Z)-2-(3-cyclohexyl-5-phenyl-1,2-oxazol-4-ylidene)acetate?
The InChIKey is USRPJMAHSACFAO-SSZFMOIBSA-N. The full InChI is InChI=1S/C19H23NO3/c1-2-22-17(21)13-16-18(14-9-5-3-6-10-14)20-23-19(16)15-11-7-4-8-12-15/h4,7-8,11-14,19H,2-3,5-6,9-10H2,1H3/b16-13-.
What are the key properties of ethyl (2Z)-2-(3-cyclohexyl-5-phenyl-1,2-oxazol-4-ylidene)acetate?
ethyl (2Z)-2-(3-cyclohexyl-5-phenyl-1,2-oxazol-4-ylidene)acetate has a molecular weight of 313.40 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-(3-cyclohexyl-5-phenyl-1,2-oxazol-4-ylidene)acetate is sourced from PubChem (CID 138970648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).