2-ethoxy-4-[(Z)-2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]phenol

C14H14N2O5 — CID 137071066

IUPAC2-ethoxy-4-[(Z)-2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]phenol
SMILESCCOc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])ccc1O
InChIInChI=1S/C14H14N2O5/c1-3-20-13-8-10(4-6-11(13)17)5-7-12-14(16(18)19)9(2)15-21-12/h4-8,17H,3H2,1-2H3/b7-5-
InChIKeyGXPIIYXTRXTUEI-ALCCZGGFSA-N
MW290.28 g/mol
LogP3.17
Rot. Bonds5

About 2-ethoxy-4-[(Z)-2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]phenol

2-ethoxy-4-[(Z)-2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]phenol (PubChem CID 137071066) has the molecular formula C14H14N2O5 and a molecular weight of 290.28 g/mol. Its IUPAC name is 2-ethoxy-4-[(Z)-2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]phenol.

Molecular Properties

Compound Name2-ethoxy-4-[(Z)-2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]phenol
PubChem CID137071066
Molecular FormulaC14H14N2O5
Molecular Weight290.28 g/mol
Exact Mass290.09
IUPAC Name2-ethoxy-4-[(Z)-2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]phenol
SMILESCCOc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])ccc1O
InChIInChI=1S/C14H14N2O5/c1-3-20-13-8-10(4-6-11(13)17)5-7-12-14(16(18)19)9(2)15-21-12/h4-8,17H,3H2,1-2H3/b7-5-
InChIKeyGXPIIYXTRXTUEI-ALCCZGGFSA-N
XLogP3.17
TPSA98.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-ethoxy-4-[(Z)-2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-3-(3-ethoxy-4-hydroxyphenyl)prop-2-enal
CID 82362855
5-[2-(3,4-dimethoxy-5-prop-2-enylphenyl)ethenyl]-3-methyl-4-nitro-1,2-oxazole
CID 2978703
5-but-1-enyl-3-methyl-4-nitro-1,2-oxazole
CID 78118855
(E)-3-(3-ethoxy-4-hydroxyphenyl)-1-(3-nitrophenyl)prop-2-en-1-one
CID 27112651
3-methyl-4-nitro-5-[(E)-2-pyridin-3-ylethenyl]-1,2-oxazole
CID 5303784
3-methyl-5-[(Z)-2-[4-(naphthalen-1-ylmethoxy)phenyl]ethenyl]-4-nitro-1,2-oxazole
CID 124550548
5-[2-[3-bromo-5-methoxy-4-(pyridin-2-ylmethoxy)phenyl]ethenyl]-3-methyl-4-nitro-1,2-oxazole
CID 71950414
3-methyl-5-[2-(6-methyl-2-pyridinyl)ethenyl]-4-nitro-1,2-oxazole
CID 4204988
3-[[4-[2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]phenoxy]methyl]thiophene-2-carbonitrile
CID 2740189
ethyl (E)-3-(3-ethoxy-4-hydroxyphenyl)-2-methylprop-2-enoate
CID 86626101
2-[2-methoxy-6-[(Z)-2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]phenoxy]acetate
CID 7247781
4-[(E)-3-aminobut-1-enyl]-2-ethoxyphenol
CID 103091555

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-[(Z)-2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]phenol?
The IUPAC name of 2-ethoxy-4-[(Z)-2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]phenol (CID 137071066) is 2-ethoxy-4-[(Z)-2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]phenol.
What is the SMILES notation for 2-ethoxy-4-[(Z)-2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]phenol?
The canonical SMILES for 2-ethoxy-4-[(Z)-2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]phenol is CCOc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])ccc1O.
What is the InChIKey of 2-ethoxy-4-[(Z)-2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]phenol?
The InChIKey is GXPIIYXTRXTUEI-ALCCZGGFSA-N. The full InChI is InChI=1S/C14H14N2O5/c1-3-20-13-8-10(4-6-11(13)17)5-7-12-14(16(18)19)9(2)15-21-12/h4-8,17H,3H2,1-2H3/b7-5-.
What are the key properties of 2-ethoxy-4-[(Z)-2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]phenol?
2-ethoxy-4-[(Z)-2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]phenol has a molecular weight of 290.28 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-[(Z)-2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]phenol is sourced from PubChem (CID 137071066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).