5-(5-chloro-1,3-benzoxazol-2-yl)-1H-pyrimidin-2-one

C11H6ClN3O2 — CID 606459

IUPAC5-(5-chloro-1,3-benzoxazol-2-yl)-1H-pyrimidin-2-one
SMILESO=c1ncc(-c2nc3cc(Cl)ccc3o2)c[nH]1
InChIInChI=1S/C11H6ClN3O2/c12-7-1-2-9-8(3-7)15-10(17-9)6-4-13-11(16)14-5-6/h1-5H,(H,13,14,16)
InChIKeyBSHPRJZSIAXLLA-UHFFFAOYSA-N
MW247.64 g/mol
LogP2.23
Rot. Bonds1

About 5-(5-chloro-1,3-benzoxazol-2-yl)-1H-pyrimidin-2-one

5-(5-chloro-1,3-benzoxazol-2-yl)-1H-pyrimidin-2-one (PubChem CID 606459) has the molecular formula C11H6ClN3O2 and a molecular weight of 247.64 g/mol. Its IUPAC name is 5-(5-chloro-1,3-benzoxazol-2-yl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-(5-chloro-1,3-benzoxazol-2-yl)-1H-pyrimidin-2-one
PubChem CID606459
Molecular FormulaC11H6ClN3O2
Molecular Weight247.64 g/mol
Exact Mass247.01
IUPAC Name5-(5-chloro-1,3-benzoxazol-2-yl)-1H-pyrimidin-2-one
SMILESO=c1ncc(-c2nc3cc(Cl)ccc3o2)c[nH]1
InChIInChI=1S/C11H6ClN3O2/c12-7-1-2-9-8(3-7)15-10(17-9)6-4-13-11(16)14-5-6/h1-5H,(H,13,14,16)
InChIKeyBSHPRJZSIAXLLA-UHFFFAOYSA-N
XLogP2.23
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.64
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7,7-dimethyl-2-(2-oxo-1H-pyrimidin-5-yl)-5H-pyrrolo[3,2-f][1,3]benzoxazol-6-one
CID 135627059
2-(5-bromo-3-pyridinyl)-5-chloro-1,3-benzoxazole
CID 95909945
5-chloro-2-(3,5-dimethoxyphenyl)-1,3-benzoxazole
CID 839464
5-(5-chloro-1,3-benzoxazol-2-yl)-N-(4-methoxyphenyl)pyrimidin-2-amine
CID 5184898
5-chloro-2-(4-methylsulfonylphenyl)-1,3-benzoxazole
CID 67331973
4-chloro-2-[[5-(5-chloro-1,3-benzoxazol-2-yl)pyrimidin-2-yl]amino]phenol
CID 27101988
2-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]ethanamine
CID 43665734
2-[4-(bromomethyl)phenyl]-5-chloro-1,3-benzoxazole
CID 14074210
5-chloro-2-(2,5-dichlorophenyl)-1,3-benzoxazole
CID 95911053
2-(1H-pyrazol-4-yl)-1,3-benzoxazol-5-ol
CID 102099634
2-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]isoindole-1,3-dione
CID 132797663
N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]formamide
CID 168652707

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-1,3-benzoxazol-2-yl)-1H-pyrimidin-2-one?
The IUPAC name of 5-(5-chloro-1,3-benzoxazol-2-yl)-1H-pyrimidin-2-one (CID 606459) is 5-(5-chloro-1,3-benzoxazol-2-yl)-1H-pyrimidin-2-one.
What is the SMILES notation for 5-(5-chloro-1,3-benzoxazol-2-yl)-1H-pyrimidin-2-one?
The canonical SMILES for 5-(5-chloro-1,3-benzoxazol-2-yl)-1H-pyrimidin-2-one is O=c1ncc(-c2nc3cc(Cl)ccc3o2)c[nH]1.
What is the InChIKey of 5-(5-chloro-1,3-benzoxazol-2-yl)-1H-pyrimidin-2-one?
The InChIKey is BSHPRJZSIAXLLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClN3O2/c12-7-1-2-9-8(3-7)15-10(17-9)6-4-13-11(16)14-5-6/h1-5H,(H,13,14,16).
What are the key properties of 5-(5-chloro-1,3-benzoxazol-2-yl)-1H-pyrimidin-2-one?
5-(5-chloro-1,3-benzoxazol-2-yl)-1H-pyrimidin-2-one has a molecular weight of 247.64 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-1,3-benzoxazol-2-yl)-1H-pyrimidin-2-one is sourced from PubChem (CID 606459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).