(4Z)-2-(2-ethoxyphenyl)-4-(naphthalen-2-ylmethylidene)-1,3-oxazol-5-one

C22H17NO3 — CID 7963704

IUPAC(4Z)-2-(2-ethoxyphenyl)-4-(naphthalen-2-ylmethylidene)-1,3-oxazol-5-one
SMILESCCOc1ccccc1C1=N/C(=C\c2ccc3ccccc3c2)C(=O)O1
InChIInChI=1S/C22H17NO3/c1-2-25-20-10-6-5-9-18(20)21-23-19(22(24)26-21)14-15-11-12-16-7-3-4-8-17(16)13-15/h3-14H,2H2,1H3/b19-14-
InChIKeyCTERJUMBWVJPOX-RGEXLXHISA-N
MW343.38 g/mol
LogP4.58
Rot. Bonds4

About (4Z)-2-(2-ethoxyphenyl)-4-(naphthalen-2-ylmethylidene)-1,3-oxazol-5-one

(4Z)-2-(2-ethoxyphenyl)-4-(naphthalen-2-ylmethylidene)-1,3-oxazol-5-one (PubChem CID 7963704) has the molecular formula C22H17NO3 and a molecular weight of 343.38 g/mol. Its IUPAC name is (4Z)-2-(2-ethoxyphenyl)-4-(naphthalen-2-ylmethylidene)-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-2-(2-ethoxyphenyl)-4-(naphthalen-2-ylmethylidene)-1,3-oxazol-5-one
PubChem CID7963704
Molecular FormulaC22H17NO3
Molecular Weight343.38 g/mol
Exact Mass343.12
IUPAC Name(4Z)-2-(2-ethoxyphenyl)-4-(naphthalen-2-ylmethylidene)-1,3-oxazol-5-one
SMILESCCOc1ccccc1C1=N/C(=C\c2ccc3ccccc3c2)C(=O)O1
InChIInChI=1S/C22H17NO3/c1-2-25-20-10-6-5-9-18(20)21-23-19(22(24)26-21)14-15-11-12-16-7-3-4-8-17(16)13-15/h3-14H,2H2,1H3/b19-14-
InChIKeyCTERJUMBWVJPOX-RGEXLXHISA-N
XLogP4.58
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 54.58
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

4-[(3,4-diethoxyphenyl)methylidene]-2-(2-methoxyphenyl)-1,3-oxazol-5-one
CID 2865589
(4Z)-4-[(3-bromo-4-methoxyphenyl)methylidene]-2-(2-ethoxyphenyl)-1,3-oxazol-5-one
CID 9312966
(4Z)-4-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylidene]-2-(2-ethoxyphenyl)-1,3-oxazol-5-one
CID 9312987
4-[(4-ethoxyphenyl)methylidene]-2-(2-methoxyphenyl)-1,3-oxazol-5-one
CID 2896918
(4Z)-2-(2-ethoxyphenyl)-4-[(3-methoxy-4-prop-2-enoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 7779113
(4Z)-2-(2-ethoxyphenyl)-4-[(4-ethyl-3-nitrophenyl)methylidene]-1,3-oxazol-5-one
CID 9312972
2-[4-[(Z)-[2-(2-ethoxyphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]-2-methoxyphenoxy]acetic acid
CID 9052142
4-[(3-ethoxy-4-prop-2-enoxyphenyl)methylidene]-2-naphthalen-2-yl-1,3-oxazol-5-one
CID 3115203
(4E)-2-(2-ethoxyphenyl)-4-[(2,4,5-trimethoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 2694649
(4Z)-4-[(2,4-dimethoxyphenyl)methylidene]-2-(2-ethoxyphenyl)-1,3-oxazol-5-one
CID 2647754
(4Z)-4-[(4-bromothiophen-2-yl)methylidene]-2-(2-ethoxyphenyl)-1,3-oxazol-5-one
CID 7779117
4-[(3-ethoxy-4-methoxyphenyl)methylidene]-2-(2-fluorophenyl)-1,3-oxazol-5-one
CID 3369007

Frequently Asked Questions

What is the IUPAC name of (4Z)-2-(2-ethoxyphenyl)-4-(naphthalen-2-ylmethylidene)-1,3-oxazol-5-one?
The IUPAC name of (4Z)-2-(2-ethoxyphenyl)-4-(naphthalen-2-ylmethylidene)-1,3-oxazol-5-one (CID 7963704) is (4Z)-2-(2-ethoxyphenyl)-4-(naphthalen-2-ylmethylidene)-1,3-oxazol-5-one.
What is the SMILES notation for (4Z)-2-(2-ethoxyphenyl)-4-(naphthalen-2-ylmethylidene)-1,3-oxazol-5-one?
The canonical SMILES for (4Z)-2-(2-ethoxyphenyl)-4-(naphthalen-2-ylmethylidene)-1,3-oxazol-5-one is CCOc1ccccc1C1=N/C(=C\c2ccc3ccccc3c2)C(=O)O1.
What is the InChIKey of (4Z)-2-(2-ethoxyphenyl)-4-(naphthalen-2-ylmethylidene)-1,3-oxazol-5-one?
The InChIKey is CTERJUMBWVJPOX-RGEXLXHISA-N. The full InChI is InChI=1S/C22H17NO3/c1-2-25-20-10-6-5-9-18(20)21-23-19(22(24)26-21)14-15-11-12-16-7-3-4-8-17(16)13-15/h3-14H,2H2,1H3/b19-14-.
What are the key properties of (4Z)-2-(2-ethoxyphenyl)-4-(naphthalen-2-ylmethylidene)-1,3-oxazol-5-one?
(4Z)-2-(2-ethoxyphenyl)-4-(naphthalen-2-ylmethylidene)-1,3-oxazol-5-one has a molecular weight of 343.38 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-(2-ethoxyphenyl)-4-(naphthalen-2-ylmethylidene)-1,3-oxazol-5-one is sourced from PubChem (CID 7963704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).