(4Z)-4-[(2,5-dimethoxyphenyl)methylidene]-2-(5-methylidene-3-phenyl-1,2-oxazol-4-ylidene)-1,3-oxazolidin-5-one

C22H18N2O5 — CID 137252054

IUPAC(4Z)-4-[(2,5-dimethoxyphenyl)methylidene]-2-(5-methylidene-3-phenyl-1,2-oxazol-4-ylidene)-1,3-oxazolidin-5-one
SMILESC=c1onc(-c2ccccc2)c1=c1[nH]/c(=C\c2cc(OC)ccc2OC)c(=O)o1
InChIInChI=1S/C22H18N2O5/c1-13-19(20(24-29-13)14-7-5-4-6-8-14)21-23-17(22(25)28-21)12-15-11-16(26-2)9-10-18(15)27-3/h4-12,23H,1H2,2-3H3/b17-12-,21-19?
InChIKeyVBOOGGZZIOHECV-SCWWSTLWSA-N
MW390.40 g/mol
LogP2.17
Rot. Bonds4

About (4Z)-4-[(2,5-dimethoxyphenyl)methylidene]-2-(5-methylidene-3-phenyl-1,2-oxazol-4-ylidene)-1,3-oxazolidin-5-one

(4Z)-4-[(2,5-dimethoxyphenyl)methylidene]-2-(5-methylidene-3-phenyl-1,2-oxazol-4-ylidene)-1,3-oxazolidin-5-one (PubChem CID 137252054) has the molecular formula C22H18N2O5 and a molecular weight of 390.40 g/mol. Its IUPAC name is (4Z)-4-[(2,5-dimethoxyphenyl)methylidene]-2-(5-methylidene-3-phenyl-1,2-oxazol-4-ylidene)-1,3-oxazolidin-5-one.

Molecular Properties

Compound Name(4Z)-4-[(2,5-dimethoxyphenyl)methylidene]-2-(5-methylidene-3-phenyl-1,2-oxazol-4-ylidene)-1,3-oxazolidin-5-one
PubChem CID137252054
Molecular FormulaC22H18N2O5
Molecular Weight390.40 g/mol
Exact Mass390.12
IUPAC Name(4Z)-4-[(2,5-dimethoxyphenyl)methylidene]-2-(5-methylidene-3-phenyl-1,2-oxazol-4-ylidene)-1,3-oxazolidin-5-one
SMILESC=c1onc(-c2ccccc2)c1=c1[nH]/c(=C\c2cc(OC)ccc2OC)c(=O)o1
InChIInChI=1S/C22H18N2O5/c1-13-19(20(24-29-13)14-7-5-4-6-8-14)21-23-17(22(25)28-21)12-15-11-16(26-2)9-10-18(15)27-3/h4-12,23H,1H2,2-3H3/b17-12-,21-19?
InChIKeyVBOOGGZZIOHECV-SCWWSTLWSA-N
XLogP2.17
TPSA90.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

8-methoxy-1-phenyl-[1,2,5]oxadiazino[5,4-a]indol-4-one
CID 11702027
4-[[5-methoxy-2-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one
CID 4280278
5-methoxy-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde
CID 24670741
(3E)-3-[(2,5-dimethoxyphenyl)methylidene]isoindol-1-one
CID 14616526
(4Z)-4-[(2,5-dimethoxyphenyl)methylidene]-2-methyl-1,3-oxazol-5-one
CID 13080921
4-[(2,5-dimethoxyphenyl)methylidene]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-one
CID 5218234
3-(5-methoxy-1,2-benzoxazol-3-yl)benzoic acid
CID 59828587
2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-4-[(2,4,5-trimethoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 4027668
4-[(2,5-dimethoxyphenyl)methylidene]-2-(4-methylphenyl)-1,3-oxazol-5-one
CID 822677
2,5-bis[(2,5-dimethoxyphenyl)methylidene]cyclopentan-1-one
CID 1069394
(4Z)-4-[(2,5-dimethoxyphenyl)methylidene]-2-(3-fluorophenyl)-1,3-oxazol-5-one
CID 920256
2-(3-bromophenyl)-4-[(2,5-dimethoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 2875015

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[(2,5-dimethoxyphenyl)methylidene]-2-(5-methylidene-3-phenyl-1,2-oxazol-4-ylidene)-1,3-oxazolidin-5-one?
The IUPAC name of (4Z)-4-[(2,5-dimethoxyphenyl)methylidene]-2-(5-methylidene-3-phenyl-1,2-oxazol-4-ylidene)-1,3-oxazolidin-5-one (CID 137252054) is (4Z)-4-[(2,5-dimethoxyphenyl)methylidene]-2-(5-methylidene-3-phenyl-1,2-oxazol-4-ylidene)-1,3-oxazolidin-5-one.
What is the SMILES notation for (4Z)-4-[(2,5-dimethoxyphenyl)methylidene]-2-(5-methylidene-3-phenyl-1,2-oxazol-4-ylidene)-1,3-oxazolidin-5-one?
The canonical SMILES for (4Z)-4-[(2,5-dimethoxyphenyl)methylidene]-2-(5-methylidene-3-phenyl-1,2-oxazol-4-ylidene)-1,3-oxazolidin-5-one is C=c1onc(-c2ccccc2)c1=c1[nH]/c(=C\c2cc(OC)ccc2OC)c(=O)o1.
What is the InChIKey of (4Z)-4-[(2,5-dimethoxyphenyl)methylidene]-2-(5-methylidene-3-phenyl-1,2-oxazol-4-ylidene)-1,3-oxazolidin-5-one?
The InChIKey is VBOOGGZZIOHECV-SCWWSTLWSA-N. The full InChI is InChI=1S/C22H18N2O5/c1-13-19(20(24-29-13)14-7-5-4-6-8-14)21-23-17(22(25)28-21)12-15-11-16(26-2)9-10-18(15)27-3/h4-12,23H,1H2,2-3H3/b17-12-,21-19?.
What are the key properties of (4Z)-4-[(2,5-dimethoxyphenyl)methylidene]-2-(5-methylidene-3-phenyl-1,2-oxazol-4-ylidene)-1,3-oxazolidin-5-one?
(4Z)-4-[(2,5-dimethoxyphenyl)methylidene]-2-(5-methylidene-3-phenyl-1,2-oxazol-4-ylidene)-1,3-oxazolidin-5-one has a molecular weight of 390.40 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[(2,5-dimethoxyphenyl)methylidene]-2-(5-methylidene-3-phenyl-1,2-oxazol-4-ylidene)-1,3-oxazolidin-5-one is sourced from PubChem (CID 137252054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).