5-[(E)-(4-hydroxyphenyl)methylideneamino]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one

C13H10N4O3 — CID 146000556

IUPAC5-[(E)-(4-hydroxyphenyl)methylideneamino]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one
SMILESCc1noc2ncn(/N=C/c3ccc(O)cc3)c(=O)c12
InChIInChI=1S/C13H10N4O3/c1-8-11-12(20-16-8)14-7-17(13(11)19)15-6-9-2-4-10(18)5-3-9/h2-7,18H,1H3/b15-6+
InChIKeyAFEQXKCFDVSNFE-GIDUJCDVSA-N
MW270.25 g/mol
LogP1.28
Rot. Bonds2

About 5-[(E)-(4-hydroxyphenyl)methylideneamino]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one

5-[(E)-(4-hydroxyphenyl)methylideneamino]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one (PubChem CID 146000556) has the molecular formula C13H10N4O3 and a molecular weight of 270.25 g/mol. Its IUPAC name is 5-[(E)-(4-hydroxyphenyl)methylideneamino]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-[(E)-(4-hydroxyphenyl)methylideneamino]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one
PubChem CID146000556
Molecular FormulaC13H10N4O3
Molecular Weight270.25 g/mol
Exact Mass270.08
IUPAC Name5-[(E)-(4-hydroxyphenyl)methylideneamino]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one
SMILESCc1noc2ncn(/N=C/c3ccc(O)cc3)c(=O)c12
InChIInChI=1S/C13H10N4O3/c1-8-11-12(20-16-8)14-7-17(13(11)19)15-6-9-2-4-10(18)5-3-9/h2-7,18H,1H3/b15-6+
InChIKeyAFEQXKCFDVSNFE-GIDUJCDVSA-N
XLogP1.28
TPSA93.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-[(E)-(4-hydroxyphenyl)methylideneamino]-6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-one
CID 135558867
5-amino-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one
CID 91328026
3-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]quinazolin-4-one
CID 29456276
3-[(E)-(4-hydroxyphenyl)methylideneamino]-8-methoxy-5H-pyrimido[5,4-b]indol-4-one
CID 135603234
3-[(E)-(4-hydroxyphenyl)methylideneamino]-7-methoxy-5H-pyrimido[5,4-b]indol-4-one
CID 136665059
3-[(E)-(3-hydroxyphenyl)methylideneamino]quinazolin-4-one
CID 18229360
5,6-dimethyl-3-[[4-(trifluoromethyl)phenyl]methylideneamino]thieno[2,3-d]pyrimidin-4-one
CID 2460288
3-methyl-5-[(2-methylphenyl)methyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-one
CID 22334920
3-[(4-hydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 765405
5-[(Z)-benzylideneamino]-2-methylpyrazolo[3,4-d]pyrimidin-4-one
CID 5453443
3-[(E)-(2-chlorophenyl)methylideneamino]-5-methyl-[1,2]oxazolo[5,4-d]triazin-4-one
CID 11415051
3-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-one
CID 9214185

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-(4-hydroxyphenyl)methylideneamino]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 5-[(E)-(4-hydroxyphenyl)methylideneamino]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one (CID 146000556) is 5-[(E)-(4-hydroxyphenyl)methylideneamino]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-[(E)-(4-hydroxyphenyl)methylideneamino]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 5-[(E)-(4-hydroxyphenyl)methylideneamino]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one is Cc1noc2ncn(/N=C/c3ccc(O)cc3)c(=O)c12.
What is the InChIKey of 5-[(E)-(4-hydroxyphenyl)methylideneamino]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one?
The InChIKey is AFEQXKCFDVSNFE-GIDUJCDVSA-N. The full InChI is InChI=1S/C13H10N4O3/c1-8-11-12(20-16-8)14-7-17(13(11)19)15-6-9-2-4-10(18)5-3-9/h2-7,18H,1H3/b15-6+.
What are the key properties of 5-[(E)-(4-hydroxyphenyl)methylideneamino]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one?
5-[(E)-(4-hydroxyphenyl)methylideneamino]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one has a molecular weight of 270.25 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-(4-hydroxyphenyl)methylideneamino]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 146000556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).