(E)-7-[5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazol-4-yl]hept-6-en-1-ol

C18H20Cl2N2O2 — CID 138602564

IUPAC(E)-7-[5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazol-4-yl]hept-6-en-1-ol
SMILESOCCCCC/C=C/c1c(-c2c(Cl)cncc2Cl)noc1C1CC1
InChIInChI=1S/C18H20Cl2N2O2/c19-14-10-21-11-15(20)16(14)17-13(6-4-2-1-3-5-9-23)18(24-22-17)12-7-8-12/h4,6,10-12,23H,1-3,5,7-9H2/b6-4+
InChIKeyJPYRXJMDUOSOHM-GQCTYLIASA-N
MW367.28 g/mol
LogP5.49
Rot. Bonds8

About (E)-7-[5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazol-4-yl]hept-6-en-1-ol

(E)-7-[5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazol-4-yl]hept-6-en-1-ol (PubChem CID 138602564) has the molecular formula C18H20Cl2N2O2 and a molecular weight of 367.28 g/mol. Its IUPAC name is (E)-7-[5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazol-4-yl]hept-6-en-1-ol.

Molecular Properties

Compound Name(E)-7-[5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazol-4-yl]hept-6-en-1-ol
PubChem CID138602564
Molecular FormulaC18H20Cl2N2O2
Molecular Weight367.28 g/mol
Exact Mass366.09
IUPAC Name(E)-7-[5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazol-4-yl]hept-6-en-1-ol
SMILESOCCCCC/C=C/c1c(-c2c(Cl)cncc2Cl)noc1C1CC1
InChIInChI=1S/C18H20Cl2N2O2/c19-14-10-21-11-15(20)16(14)17-13(6-4-2-1-3-5-9-23)18(24-22-17)12-7-8-12/h4,6,10-12,23H,1-3,5,7-9H2/b6-4+
InChIKeyJPYRXJMDUOSOHM-GQCTYLIASA-N
XLogP5.49
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.28
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (E)-7-[5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazol-4-yl]hept-6-en-1-ol with MolForge

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Launch Full Analysis

Related Compounds

(E)-7-[5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazol-4-yl]hept-6-enoic acid;ethene
CID 142582133
6-[[5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazol-4-yl]methoxy]hexan-1-ol
CID 138602342
3-[5-[(E)-6-[5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazol-4-yl]hex-5-enyl]-1,2,4-oxadiazol-3-yl]-2-methoxybenzoic acid
CID 138602124
4-[[(E)-4-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]but-3-enoxy]methyl]benzoic acid
CID 138602243
3-[3-[6-[(E)-2-[5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazol-4-yl]ethenyl]-3-azabicyclo[3.1.0]hexan-3-yl]-1,2,4-oxadiazol-5-yl]-5-(hydroxymethyl)benzoic acid
CID 155609952
[5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazol-4-yl]methylphosphonic acid
CID 138584982
tert-butyl 6-[(E)-2-[5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazol-4-yl]ethenyl]-2-azaspiro[3.3]heptane-2-carboxylate
CID 142581997
2-[4-[(E)-2-[5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazol-4-yl]ethenyl]-1-bicyclo[2.2.2]octanyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 138602244
4-[[4-[2-[5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazol-4-yl]ethenyl]-1-bicyclo[2.2.2]octanyl]methoxy]-3-methoxybenzoic acid
CID 170170892
3-[5-[6-[(E)-2-[5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazol-4-yl]ethenyl]-3-azabicyclo[3.1.0]hexan-3-yl]-1,3,4-thiadiazol-2-yl]-5-(hydroxymethyl)benzoic acid
CID 155609953
5-cyclopropyl-3-(2,6-dichlorophenyl)-4-ethenyl-1,2-oxazole
CID 138592228
7-[4-[(E)-2-[5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazol-4-yl]ethenyl]piperidin-1-yl]-1-ethylisoquinoline-3-carboxylic acid
CID 163988732

Frequently Asked Questions

What is the IUPAC name of (E)-7-[5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazol-4-yl]hept-6-en-1-ol?
The IUPAC name of (E)-7-[5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazol-4-yl]hept-6-en-1-ol (CID 138602564) is (E)-7-[5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazol-4-yl]hept-6-en-1-ol.
What is the SMILES notation for (E)-7-[5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazol-4-yl]hept-6-en-1-ol?
The canonical SMILES for (E)-7-[5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazol-4-yl]hept-6-en-1-ol is OCCCCC/C=C/c1c(-c2c(Cl)cncc2Cl)noc1C1CC1.
What is the InChIKey of (E)-7-[5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazol-4-yl]hept-6-en-1-ol?
The InChIKey is JPYRXJMDUOSOHM-GQCTYLIASA-N. The full InChI is InChI=1S/C18H20Cl2N2O2/c19-14-10-21-11-15(20)16(14)17-13(6-4-2-1-3-5-9-23)18(24-22-17)12-7-8-12/h4,6,10-12,23H,1-3,5,7-9H2/b6-4+.
What are the key properties of (E)-7-[5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazol-4-yl]hept-6-en-1-ol?
(E)-7-[5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazol-4-yl]hept-6-en-1-ol has a molecular weight of 367.28 g/mol, XLogP of 5.49, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-7-[5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazol-4-yl]hept-6-en-1-ol is sourced from PubChem (CID 138602564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).