4-[(2-methoxyphenyl)methylidene]-3-naphthalen-1-yl-1,2-oxazol-5-one

C21H15NO3 — CID 671163

IUPAC4-[(2-methoxyphenyl)methylidene]-3-naphthalen-1-yl-1,2-oxazol-5-one
SMILESCOc1ccccc1C=C1C(=O)ON=C1c1cccc2ccccc12
InChIInChI=1S/C21H15NO3/c1-24-19-12-5-3-8-15(19)13-18-20(22-25-21(18)23)17-11-6-9-14-7-2-4-10-16(14)17/h2-13H,1H3
InChIKeyBMVVDRCGOXCLTD-UHFFFAOYSA-N
MW329.36 g/mol
LogP4.19
Rot. Bonds3

About 4-[(2-methoxyphenyl)methylidene]-3-naphthalen-1-yl-1,2-oxazol-5-one

4-[(2-methoxyphenyl)methylidene]-3-naphthalen-1-yl-1,2-oxazol-5-one (PubChem CID 671163) has the molecular formula C21H15NO3 and a molecular weight of 329.36 g/mol. Its IUPAC name is 4-[(2-methoxyphenyl)methylidene]-3-naphthalen-1-yl-1,2-oxazol-5-one.

Molecular Properties

Compound Name4-[(2-methoxyphenyl)methylidene]-3-naphthalen-1-yl-1,2-oxazol-5-one
PubChem CID671163
Molecular FormulaC21H15NO3
Molecular Weight329.36 g/mol
Exact Mass329.11
IUPAC Name4-[(2-methoxyphenyl)methylidene]-3-naphthalen-1-yl-1,2-oxazol-5-one
SMILESCOc1ccccc1C=C1C(=O)ON=C1c1cccc2ccccc12
InChIInChI=1S/C21H15NO3/c1-24-19-12-5-3-8-15(19)13-18-20(22-25-21(18)23)17-11-6-9-14-7-2-4-10-16(14)17/h2-13H,1H3
InChIKeyBMVVDRCGOXCLTD-UHFFFAOYSA-N
XLogP4.19
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_A(201)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}

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Related Compounds

4-[(2-methoxyphenyl)methylidene]-3-(2-nitrophenyl)-1,2-oxazol-5-one
CID 3917810
4-[(2-methoxyphenyl)methylidene]-3-(4-phenylphenyl)-1,2-oxazol-5-one
CID 3567474
3-(4-chlorophenyl)-4-[(2-methoxyphenyl)methylidene]-1,2-oxazol-5-one
CID 3736691
4-[(2,4-dichlorophenyl)methylidene]-3-naphthalen-1-yl-1,2-oxazol-5-one
CID 4270109
(4Z)-4-(diethylaminomethylidene)-3-(2-methoxyphenyl)-1,2-oxazol-5-one
CID 70461164
1-[2-(2-methoxyphenyl)phenyl]naphthalene
CID 175027379
4-[(3-methoxy-2-prop-2-ynoxyphenyl)methylidene]-3-methyl-1,2-oxazol-5-one
CID 2937111
2-methoxy-3-naphthalen-1-ylbenzaldehyde
CID 10879893
(4E)-2-naphthalen-1-yl-4-[(2-propan-2-yloxyphenyl)methylidene]-1,3-oxazol-5-one
CID 6006272
4-[(2-butoxyphenyl)methylidene]-3-(3-nitrophenyl)-1,2-oxazol-5-one
CID 171131866
2-(2,6-dimethoxyphenyl)-3-naphthalen-1-ylnaphthalene-1,4-dione
CID 102377956
(4E)-3-(chloromethyl)-4-[(2-ethoxyphenyl)methylidene]-1,2-oxazol-5-one
CID 25220202

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxyphenyl)methylidene]-3-naphthalen-1-yl-1,2-oxazol-5-one?
The IUPAC name of 4-[(2-methoxyphenyl)methylidene]-3-naphthalen-1-yl-1,2-oxazol-5-one (CID 671163) is 4-[(2-methoxyphenyl)methylidene]-3-naphthalen-1-yl-1,2-oxazol-5-one.
What is the SMILES notation for 4-[(2-methoxyphenyl)methylidene]-3-naphthalen-1-yl-1,2-oxazol-5-one?
The canonical SMILES for 4-[(2-methoxyphenyl)methylidene]-3-naphthalen-1-yl-1,2-oxazol-5-one is COc1ccccc1C=C1C(=O)ON=C1c1cccc2ccccc12.
What is the InChIKey of 4-[(2-methoxyphenyl)methylidene]-3-naphthalen-1-yl-1,2-oxazol-5-one?
The InChIKey is BMVVDRCGOXCLTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NO3/c1-24-19-12-5-3-8-15(19)13-18-20(22-25-21(18)23)17-11-6-9-14-7-2-4-10-16(14)17/h2-13H,1H3.
What are the key properties of 4-[(2-methoxyphenyl)methylidene]-3-naphthalen-1-yl-1,2-oxazol-5-one?
4-[(2-methoxyphenyl)methylidene]-3-naphthalen-1-yl-1,2-oxazol-5-one has a molecular weight of 329.36 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxyphenyl)methylidene]-3-naphthalen-1-yl-1,2-oxazol-5-one is sourced from PubChem (CID 671163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).