4-chloro-[1,2]oxazolo[5,4-b]pyridine

C6H3ClN2O — CID 82416459

IUPAC4-chloro-[1,2]oxazolo[5,4-b]pyridine
SMILESClc1ccnc2oncc12
InChIInChI=1S/C6H3ClN2O/c7-5-1-2-8-6-4(5)3-9-10-6/h1-3H
InChIKeyIKYSYKPDFCZSHP-UHFFFAOYSA-N
MW154.56 g/mol
LogP1.88
Rot. Bonds

About 4-chloro-[1,2]oxazolo[5,4-b]pyridine

4-chloro-[1,2]oxazolo[5,4-b]pyridine (PubChem CID 82416459) has the molecular formula C6H3ClN2O and a molecular weight of 154.56 g/mol. Its IUPAC name is 4-chloro-[1,2]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name4-chloro-[1,2]oxazolo[5,4-b]pyridine
PubChem CID82416459
Molecular FormulaC6H3ClN2O
Molecular Weight154.56 g/mol
Exact Mass153.99
IUPAC Name4-chloro-[1,2]oxazolo[5,4-b]pyridine
SMILESClc1ccnc2oncc12
InChIInChI=1S/C6H3ClN2O/c7-5-1-2-8-6-4(5)3-9-10-6/h1-3H
InChIKeyIKYSYKPDFCZSHP-UHFFFAOYSA-N
XLogP1.88
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.56
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-([1,2]oxazolo[5,4-b]pyridin-4-yl)propane-1,2-diamine
CID 83830095
2-N-methyl-2-N-([1,2]oxazolo[5,4-b]pyridin-4-yl)propane-1,2-diamine
CID 112709969
2-methyl-2-([1,2]oxazolo[5,4-b]pyridin-4-ylamino)propanoic acid
CID 83838108
4-chloro-7-methyl-1,6-naphthyridine
CID 69177238
carbon dioxide;4-chloro-2-methylfuro[2,3-b]pyridine
CID 159986030
4,6-dichloro-[1,2]oxazolo[5,4-d]pyrimidine
CID 53393411
N-piperidin-3-yl-[1,2]oxazolo[5,4-b]pyridin-4-amine
CID 83836526
4,8-dichloro-7-fluoroquinoline
CID 130131663
7-chloro-1,2-benzoxazol-4-ol
CID 136743881
2-bromo-4-chlorothieno[2,3-b]pyridine
CID 54328394
7-chloro-1H-[1,3]oxazolo[5,4-b]pyridine-2-thione
CID 84660719
4-[(2,6-dichlorophenyl)methoxy]-1,2-benzoxazole
CID 175054494

Frequently Asked Questions

What is the IUPAC name of 4-chloro-[1,2]oxazolo[5,4-b]pyridine?
The IUPAC name of 4-chloro-[1,2]oxazolo[5,4-b]pyridine (CID 82416459) is 4-chloro-[1,2]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 4-chloro-[1,2]oxazolo[5,4-b]pyridine?
The canonical SMILES for 4-chloro-[1,2]oxazolo[5,4-b]pyridine is Clc1ccnc2oncc12.
What is the InChIKey of 4-chloro-[1,2]oxazolo[5,4-b]pyridine?
The InChIKey is IKYSYKPDFCZSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClN2O/c7-5-1-2-8-6-4(5)3-9-10-6/h1-3H.
What are the key properties of 4-chloro-[1,2]oxazolo[5,4-b]pyridine?
4-chloro-[1,2]oxazolo[5,4-b]pyridine has a molecular weight of 154.56 g/mol, XLogP of 1.88, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-[1,2]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 82416459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).