4-chloro-5-hydroxy-3H-1,3-oxazol-2-one

C3H2ClNO3 — CID 69333997

IUPAC4-chloro-5-hydroxy-3H-1,3-oxazol-2-one
SMILESO=c1[nH]c(Cl)c(O)o1
InChIInChI=1S/C3H2ClNO3/c4-1-2(6)8-3(7)5-1/h6H,(H,5,7)
InChIKeyIDPHDIXBCMAHPR-UHFFFAOYSA-N
MW135.51 g/mol
LogP0.33
Rot. Bonds

About 4-chloro-5-hydroxy-3H-1,3-oxazol-2-one

4-chloro-5-hydroxy-3H-1,3-oxazol-2-one (PubChem CID 69333997) has the molecular formula C3H2ClNO3 and a molecular weight of 135.51 g/mol. Its IUPAC name is 4-chloro-5-hydroxy-3H-1,3-oxazol-2-one.

Molecular Properties

Compound Name4-chloro-5-hydroxy-3H-1,3-oxazol-2-one
PubChem CID69333997
Molecular FormulaC3H2ClNO3
Molecular Weight135.51 g/mol
Exact Mass134.97
IUPAC Name4-chloro-5-hydroxy-3H-1,3-oxazol-2-one
SMILESO=c1[nH]c(Cl)c(O)o1
InChIInChI=1S/C3H2ClNO3/c4-1-2(6)8-3(7)5-1/h6H,(H,5,7)
InChIKeyIDPHDIXBCMAHPR-UHFFFAOYSA-N
XLogP0.33
TPSA66.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.51
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-butyl-5-hydroxy-3H-1,3-oxazol-2-one
CID 123172052
5-chloro-6-hydroxy-3H-1,3-benzoxazol-2-one
CID 171035252
3,6-dichloro-4-hydroxy-5-methyl-1H-pyridin-2-one
CID 54732101
8-chloro-1H-3,1-benzoxazine-2,4-dione
CID 517535
6-chloro-4-hydroxy-5-methyl-1H-pyridin-2-one
CID 54695998
5,6,7-trichloro-3H-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 15557988
5,7-dihydroxy-3H-1,3-benzoxazol-2-one
CID 11701104
4-hydroxy-5-phenyl-3H-1,3-oxazol-2-one
CID 54169541
5-hydroxy-7-methyl-3H-1,3-benzoxazol-2-one
CID 84652015
6-chloro-1H-[1,3]oxazolo[5,4-b]pyridin-2-one
CID 82338154
5-chloro-3H-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 84653939
2,3,7,8-tetrahydroxy-5,10-dihydrophenazine-1,4,6,9-tetrone
CID 165116815

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-hydroxy-3H-1,3-oxazol-2-one?
The IUPAC name of 4-chloro-5-hydroxy-3H-1,3-oxazol-2-one (CID 69333997) is 4-chloro-5-hydroxy-3H-1,3-oxazol-2-one.
What is the SMILES notation for 4-chloro-5-hydroxy-3H-1,3-oxazol-2-one?
The canonical SMILES for 4-chloro-5-hydroxy-3H-1,3-oxazol-2-one is O=c1[nH]c(Cl)c(O)o1.
What is the InChIKey of 4-chloro-5-hydroxy-3H-1,3-oxazol-2-one?
The InChIKey is IDPHDIXBCMAHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2ClNO3/c4-1-2(6)8-3(7)5-1/h6H,(H,5,7).
What are the key properties of 4-chloro-5-hydroxy-3H-1,3-oxazol-2-one?
4-chloro-5-hydroxy-3H-1,3-oxazol-2-one has a molecular weight of 135.51 g/mol, XLogP of 0.33, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-hydroxy-3H-1,3-oxazol-2-one is sourced from PubChem (CID 69333997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).