[3-(6-chloro-3-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methanol

C10H9ClN2O2 — CID 134588377

IUPAC[3-(6-chloro-3-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methanol
SMILESCc1onc(-c2ccc(Cl)nc2)c1CO
InChIInChI=1S/C10H9ClN2O2/c1-6-8(5-14)10(13-15-6)7-2-3-9(11)12-4-7/h2-4,14H,5H2,1H3
InChIKeyHOQOOXBGHYGRLH-UHFFFAOYSA-N
MW224.65 g/mol
LogP2.19
Rot. Bonds2

About [3-(6-chloro-3-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methanol

[3-(6-chloro-3-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methanol (PubChem CID 134588377) has the molecular formula C10H9ClN2O2 and a molecular weight of 224.65 g/mol. Its IUPAC name is [3-(6-chloro-3-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methanol.

Molecular Properties

Compound Name[3-(6-chloro-3-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methanol
PubChem CID134588377
Molecular FormulaC10H9ClN2O2
Molecular Weight224.65 g/mol
Exact Mass224.04
IUPAC Name[3-(6-chloro-3-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methanol
SMILESCc1onc(-c2ccc(Cl)nc2)c1CO
InChIInChI=1S/C10H9ClN2O2/c1-6-8(5-14)10(13-15-6)7-2-3-9(11)12-4-7/h2-4,14H,5H2,1H3
InChIKeyHOQOOXBGHYGRLH-UHFFFAOYSA-N
XLogP2.19
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.65
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

CID 656040
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CID 749183
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CID 5446268
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CID 5883978
CID 5883978
CID 2098487
CID 2098487
CID 626045
CID 626045
CID 3146138
CID 3146138
CID 22831981
CID 22831981
CID 2814678
CID 2814678
CID 5741737
CID 5741737
CID 9567488
CID 9567488
CID 9567509
CID 9567509

Frequently Asked Questions

What is the IUPAC name of [3-(6-chloro-3-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methanol?
The IUPAC name of [3-(6-chloro-3-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methanol (CID 134588377) is [3-(6-chloro-3-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methanol.
What is the SMILES notation for [3-(6-chloro-3-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methanol?
The canonical SMILES for [3-(6-chloro-3-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methanol is Cc1onc(-c2ccc(Cl)nc2)c1CO.
What is the InChIKey of [3-(6-chloro-3-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methanol?
The InChIKey is HOQOOXBGHYGRLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O2/c1-6-8(5-14)10(13-15-6)7-2-3-9(11)12-4-7/h2-4,14H,5H2,1H3.
What are the key properties of [3-(6-chloro-3-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methanol?
[3-(6-chloro-3-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methanol has a molecular weight of 224.65 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(6-chloro-3-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methanol is sourced from PubChem (CID 134588377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).