5-hexyl-3-quinazolin-7-yl-1,3-oxazolidin-2-one

C17H21N3O2 — CID 59580231

IUPAC5-hexyl-3-quinazolin-7-yl-1,3-oxazolidin-2-one
SMILESCCCCCCC1CN(c2ccc3cncnc3c2)C(=O)O1
InChIInChI=1S/C17H21N3O2/c1-2-3-4-5-6-15-11-20(17(21)22-15)14-8-7-13-10-18-12-19-16(13)9-14/h7-10,12,15H,2-6,11H2,1H3
InChIKeyISHDXPBNJSYOIA-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.93
Rot. Bonds6

About 5-hexyl-3-quinazolin-7-yl-1,3-oxazolidin-2-one

5-hexyl-3-quinazolin-7-yl-1,3-oxazolidin-2-one (PubChem CID 59580231) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 5-hexyl-3-quinazolin-7-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-hexyl-3-quinazolin-7-yl-1,3-oxazolidin-2-one
PubChem CID59580231
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name5-hexyl-3-quinazolin-7-yl-1,3-oxazolidin-2-one
SMILESCCCCCCC1CN(c2ccc3cncnc3c2)C(=O)O1
InChIInChI=1S/C17H21N3O2/c1-2-3-4-5-6-15-11-20(17(21)22-15)14-8-7-13-10-18-12-19-16(13)9-14/h7-10,12,15H,2-6,11H2,1H3
InChIKeyISHDXPBNJSYOIA-UHFFFAOYSA-N
XLogP3.93
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-hexyl-3-(4-hydroxyphenyl)-1,3-oxazolidin-2-one
CID 22368592
5-dodecyl-3-phenyl-1,3-oxazolidin-2-one
CID 23270939
3-(4-cyclopropylphenyl)-5-hexyl-1,3-oxazolidin-2-one
CID 59580221
3-(4-ethynyl-3-fluorophenyl)-5-hexyl-1,3-oxazolidin-2-one
CID 89014870
2-fluoro-4-(5-hexyl-2-oxo-1,3-oxazolidin-3-yl)benzonitrile
CID 59580233
(5R)-5-hexyl-3-thiophen-3-yl-1,3-oxazolidin-2-one
CID 124582743
2-[2-fluoro-4-(5-hexyl-2-oxo-1,3-oxazolidin-3-yl)phenyl]acetonitrile
CID 59580299
3-(2-aminophenyl)-5-hexyl-1,3-oxazolidin-2-one
CID 46887116
N-[[3-(3-fluoro-4-pyrrolo[3,4-d]pyrimidin-6-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 22087057
(5S)-5-hexyl-3-thiophen-2-yl-1,3-oxazolidin-2-one
CID 124582742
5-(hydroxymethyl)-3-naphthalen-2-yl-1,3-oxazolidin-2-one
CID 19012505
(5S)-5-(chloromethyl)-3-(3,4-dichlorophenyl)-1,3-oxazolidin-2-one
CID 51893633

Frequently Asked Questions

What is the IUPAC name of 5-hexyl-3-quinazolin-7-yl-1,3-oxazolidin-2-one?
The IUPAC name of 5-hexyl-3-quinazolin-7-yl-1,3-oxazolidin-2-one (CID 59580231) is 5-hexyl-3-quinazolin-7-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-hexyl-3-quinazolin-7-yl-1,3-oxazolidin-2-one?
The canonical SMILES for 5-hexyl-3-quinazolin-7-yl-1,3-oxazolidin-2-one is CCCCCCC1CN(c2ccc3cncnc3c2)C(=O)O1.
What is the InChIKey of 5-hexyl-3-quinazolin-7-yl-1,3-oxazolidin-2-one?
The InChIKey is ISHDXPBNJSYOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-2-3-4-5-6-15-11-20(17(21)22-15)14-8-7-13-10-18-12-19-16(13)9-14/h7-10,12,15H,2-6,11H2,1H3.
What are the key properties of 5-hexyl-3-quinazolin-7-yl-1,3-oxazolidin-2-one?
5-hexyl-3-quinazolin-7-yl-1,3-oxazolidin-2-one has a molecular weight of 299.37 g/mol, XLogP of 3.93, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hexyl-3-quinazolin-7-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 59580231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).