[3-(4-chloro-2-fluorophenyl)-5-(1-ethoxyethyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol

C19H18ClFN2O3 — CID 58463330

IUPAC[3-(4-chloro-2-fluorophenyl)-5-(1-ethoxyethyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol
SMILESCCOC(C)c1onc(-c2ccc(Cl)cc2F)c1C(O)c1cccnc1
InChIInChI=1S/C19H18ClFN2O3/c1-3-25-11(2)19-16(18(24)12-5-4-8-22-10-12)17(23-26-19)14-7-6-13(20)9-15(14)21/h4-11,18,24H,3H2,1-2H3
InChIKeyDNNSUUKZORZOIE-UHFFFAOYSA-N
MW376.82 g/mol
LogP4.71
Rot. Bonds6

About [3-(4-chloro-2-fluorophenyl)-5-(1-ethoxyethyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol

[3-(4-chloro-2-fluorophenyl)-5-(1-ethoxyethyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol (PubChem CID 58463330) has the molecular formula C19H18ClFN2O3 and a molecular weight of 376.82 g/mol. Its IUPAC name is [3-(4-chloro-2-fluorophenyl)-5-(1-ethoxyethyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol.

Molecular Properties

Compound Name[3-(4-chloro-2-fluorophenyl)-5-(1-ethoxyethyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol
PubChem CID58463330
Molecular FormulaC19H18ClFN2O3
Molecular Weight376.82 g/mol
Exact Mass376.10
IUPAC Name[3-(4-chloro-2-fluorophenyl)-5-(1-ethoxyethyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol
SMILESCCOC(C)c1onc(-c2ccc(Cl)cc2F)c1C(O)c1cccnc1
InChIInChI=1S/C19H18ClFN2O3/c1-3-25-11(2)19-16(18(24)12-5-4-8-22-10-12)17(23-26-19)14-7-6-13(20)9-15(14)21/h4-11,18,24H,3H2,1-2H3
InChIKeyDNNSUUKZORZOIE-UHFFFAOYSA-N
XLogP4.71
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.82
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(4-chloro-2-fluorophenyl)-5-(1-ethoxyethyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol?
The IUPAC name of [3-(4-chloro-2-fluorophenyl)-5-(1-ethoxyethyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol (CID 58463330) is [3-(4-chloro-2-fluorophenyl)-5-(1-ethoxyethyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol.
What is the SMILES notation for [3-(4-chloro-2-fluorophenyl)-5-(1-ethoxyethyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol?
The canonical SMILES for [3-(4-chloro-2-fluorophenyl)-5-(1-ethoxyethyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol is CCOC(C)c1onc(-c2ccc(Cl)cc2F)c1C(O)c1cccnc1.
What is the InChIKey of [3-(4-chloro-2-fluorophenyl)-5-(1-ethoxyethyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol?
The InChIKey is DNNSUUKZORZOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN2O3/c1-3-25-11(2)19-16(18(24)12-5-4-8-22-10-12)17(23-26-19)14-7-6-13(20)9-15(14)21/h4-11,18,24H,3H2,1-2H3.
What are the key properties of [3-(4-chloro-2-fluorophenyl)-5-(1-ethoxyethyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol?
[3-(4-chloro-2-fluorophenyl)-5-(1-ethoxyethyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol has a molecular weight of 376.82 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-chloro-2-fluorophenyl)-5-(1-ethoxyethyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol is sourced from PubChem (CID 58463330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).