N-[4-[(Z)-[2-(2-chlorophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide

C17H14ClN3O3S — CID 43037996

IUPACN-[4-[(Z)-[2-(2-chlorophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide
SMILESCCN(C(C)=O)c1nc(/C=C2\N=C(c3ccccc3Cl)OC2=O)cs1
InChIInChI=1S/C17H14ClN3O3S/c1-3-21(10(2)22)17-19-11(9-25-17)8-14-16(23)24-15(20-14)12-6-4-5-7-13(12)18/h4-9H,3H2,1-2H3/b14-8-
InChIKeyUCRREZXZTQZKKW-ZSOIEALJSA-N
MW375.84 g/mol
LogP3.51
Rot. Bonds4

About N-[4-[(Z)-[2-(2-chlorophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide

N-[4-[(Z)-[2-(2-chlorophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide (PubChem CID 43037996) has the molecular formula C17H14ClN3O3S and a molecular weight of 375.84 g/mol. Its IUPAC name is N-[4-[(Z)-[2-(2-chlorophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide.

Molecular Properties

Compound NameN-[4-[(Z)-[2-(2-chlorophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide
PubChem CID43037996
Molecular FormulaC17H14ClN3O3S
Molecular Weight375.84 g/mol
Exact Mass375.04
IUPAC NameN-[4-[(Z)-[2-(2-chlorophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide
SMILESCCN(C(C)=O)c1nc(/C=C2\N=C(c3ccccc3Cl)OC2=O)cs1
InChIInChI=1S/C17H14ClN3O3S/c1-3-21(10(2)22)17-19-11(9-25-17)8-14-16(23)24-15(20-14)12-6-4-5-7-13(12)18/h4-9H,3H2,1-2H3/b14-8-
InChIKeyUCRREZXZTQZKKW-ZSOIEALJSA-N
XLogP3.51
TPSA71.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.84
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(Z)-[2-(4-chloro-3-nitrophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide
CID 43038013
N-[4-[(Z)-[2-(3-chlorophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 26496643
N-[4-[(Z)-[2-(4-tert-butylphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 26475331
2-(2-chlorophenyl)-4-(dimethylaminomethylidene)-1,3-oxazol-5-one
CID 3844182
(4Z)-2-(2-chlorophenyl)-4-(dimethylaminomethylidene)-1,3-oxazol-5-one
CID 819907
4-(anthracen-9-ylmethylidene)-2-(2-chlorophenyl)-1,3-oxazol-5-one
CID 3538357
2-(2-chlorophenyl)-4-[(4-ethylphenyl)methylidene]-1,3-oxazol-5-one
CID 3876449
[4-[[2-(2-chlorophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl] acetate
CID 3089569
2-(2-chlorophenyl)-4-[(2-propoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 2875062
N-ethyl-N-[4-[(E)-3-oxo-3-phenylprop-1-enyl]-1,3-thiazol-2-yl]acetamide
CID 46663321
2-(2-chlorophenyl)-4-[(2-methoxynaphthalen-1-yl)methylidene]-1,3-oxazol-5-one
CID 4527983
(4Z)-4-[(3-butan-2-yloxyphenyl)methylidene]-2-(2-chlorophenyl)-1,3-oxazol-5-one
CID 21216679

Frequently Asked Questions

What is the IUPAC name of N-[4-[(Z)-[2-(2-chlorophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide?
The IUPAC name of N-[4-[(Z)-[2-(2-chlorophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide (CID 43037996) is N-[4-[(Z)-[2-(2-chlorophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide.
What is the SMILES notation for N-[4-[(Z)-[2-(2-chlorophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide?
The canonical SMILES for N-[4-[(Z)-[2-(2-chlorophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide is CCN(C(C)=O)c1nc(/C=C2\N=C(c3ccccc3Cl)OC2=O)cs1.
What is the InChIKey of N-[4-[(Z)-[2-(2-chlorophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide?
The InChIKey is UCRREZXZTQZKKW-ZSOIEALJSA-N. The full InChI is InChI=1S/C17H14ClN3O3S/c1-3-21(10(2)22)17-19-11(9-25-17)8-14-16(23)24-15(20-14)12-6-4-5-7-13(12)18/h4-9H,3H2,1-2H3/b14-8-.
What are the key properties of N-[4-[(Z)-[2-(2-chlorophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide?
N-[4-[(Z)-[2-(2-chlorophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide has a molecular weight of 375.84 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(Z)-[2-(2-chlorophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide is sourced from PubChem (CID 43037996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).