(E)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-thiophen-2-ylprop-2-enamide

C17H14N2O3S — CID 22058498

IUPAC(E)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-thiophen-2-ylprop-2-enamide
SMILESCOc1cc(NC(=O)/C=C/c2cccs2)ccc1-c1cnco1
InChIInChI=1S/C17H14N2O3S/c1-21-15-9-12(4-6-14(15)16-10-18-11-22-16)19-17(20)7-5-13-3-2-8-23-13/h2-11H,1H3,(H,19,20)/b7-5+
InChIKeyXTODCJWTFXNKQI-FNORWQNLSA-N
MW326.38 g/mol
LogP4.06
Rot. Bonds5

About (E)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-thiophen-2-ylprop-2-enamide

(E)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-thiophen-2-ylprop-2-enamide (PubChem CID 22058498) has the molecular formula C17H14N2O3S and a molecular weight of 326.38 g/mol. Its IUPAC name is (E)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-thiophen-2-ylprop-2-enamide
PubChem CID22058498
Molecular FormulaC17H14N2O3S
Molecular Weight326.38 g/mol
Exact Mass326.07
IUPAC Name(E)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-thiophen-2-ylprop-2-enamide
SMILESCOc1cc(NC(=O)/C=C/c2cccs2)ccc1-c1cnco1
InChIInChI=1S/C17H14N2O3S/c1-21-15-9-12(4-6-14(15)16-10-18-11-22-16)19-17(20)7-5-13-3-2-8-23-13/h2-11H,1H3,(H,19,20)/b7-5+
InChIKeyXTODCJWTFXNKQI-FNORWQNLSA-N
XLogP4.06
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(difluoromethoxy)-4-(1,3-oxazol-5-yl)phenyl]-D-leucinamide
CID 86582964
N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-D-leucinamide
CID 117800355
(2R,3R)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-(propan-2-yl)piperidine-2-carboxamide
CID 121363302
3-Methoxy-4-(oxazol-5-yl)aniline
CID 15462732
1-(3-Methoxy-4-oxazol-5-yl-phenyl)-3-m-tolyl-urea
CID 510912
N-tert-butyl-N'-[3-methoxy-4-(5-oxazolyl)phenyl]oxalamide
CID 9797026
N-(2-Dimethylamino-1,1-dimethyl-ethyl)-N''-(3-methoxy-4-oxazol-5-yl-phenyl)-oxalamide
CID 9798978
N-(2-Hydroxy-1,1-dimethyl-ethyl)-N''-(3-methoxy-4-oxazol-5-yl-phenyl)-oxalamide
CID 9819013
7-Methoxy-6-oxazol-5-yl-2-thiophen-3-yl-1H-quinolin-4-one
CID 9880305
7-Methoxy-6-oxazol-5-yl-2-thiophen-2-yl-1H-quinolin-4-one
CID 9923286
N-(3-Methoxy-4-oxazol-5-yl-phenyl)-2-oxo-3-phenyl-butyramide
CID 9949676
7-Methoxy-6-oxazol-5-yl-2-thiazol-4-yl-1H-quinolin-4-one
CID 10131333

Frequently Asked Questions

What is the IUPAC name of (E)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-thiophen-2-ylprop-2-enamide (CID 22058498) is (E)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-thiophen-2-ylprop-2-enamide is COc1cc(NC(=O)/C=C/c2cccs2)ccc1-c1cnco1.
What is the InChIKey of (E)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-thiophen-2-ylprop-2-enamide?
The InChIKey is XTODCJWTFXNKQI-FNORWQNLSA-N. The full InChI is InChI=1S/C17H14N2O3S/c1-21-15-9-12(4-6-14(15)16-10-18-11-22-16)19-17(20)7-5-13-3-2-8-23-13/h2-11H,1H3,(H,19,20)/b7-5+.
What are the key properties of (E)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-thiophen-2-ylprop-2-enamide?
(E)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-thiophen-2-ylprop-2-enamide has a molecular weight of 326.38 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 22058498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).