5-(chloromethyl)-3-(4-pentoxyphenyl)-1,2-oxazole

C15H18ClNO2 — CID 57498270

IUPAC5-(chloromethyl)-3-(4-pentoxyphenyl)-1,2-oxazole
SMILESCCCCCOc1ccc(-c2cc(CCl)on2)cc1
InChIInChI=1S/C15H18ClNO2/c1-2-3-4-9-18-13-7-5-12(6-8-13)15-10-14(11-16)19-17-15/h5-8,10H,2-4,9,11H2,1H3
InChIKeyICYXTXMSQWTFEE-UHFFFAOYSA-N
MW279.77 g/mol
LogP4.65
Rot. Bonds7

About 5-(chloromethyl)-3-(4-pentoxyphenyl)-1,2-oxazole

5-(chloromethyl)-3-(4-pentoxyphenyl)-1,2-oxazole (PubChem CID 57498270) has the molecular formula C15H18ClNO2 and a molecular weight of 279.77 g/mol. Its IUPAC name is 5-(chloromethyl)-3-(4-pentoxyphenyl)-1,2-oxazole.

Molecular Properties

Compound Name5-(chloromethyl)-3-(4-pentoxyphenyl)-1,2-oxazole
PubChem CID57498270
Molecular FormulaC15H18ClNO2
Molecular Weight279.77 g/mol
Exact Mass279.10
IUPAC Name5-(chloromethyl)-3-(4-pentoxyphenyl)-1,2-oxazole
SMILESCCCCCOc1ccc(-c2cc(CCl)on2)cc1
InChIInChI=1S/C15H18ClNO2/c1-2-3-4-9-18-13-7-5-12(6-8-13)15-10-14(11-16)19-17-15/h5-8,10H,2-4,9,11H2,1H3
InChIKeyICYXTXMSQWTFEE-UHFFFAOYSA-N
XLogP4.65
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-methylphenyl)-5-(4-pentoxyphenyl)-1,2-oxazole
CID 122432767
[3-(4-butoxyphenyl)-1,2-oxazol-5-yl]methyl carbamate
CID 46892869
3-(4-bromophenyl)-5-(4-decoxyphenyl)-1,2-oxazole
CID 25227832
5-(chloromethyl)-3-[4-(pyridin-2-ylmethoxy)phenyl]-1,2-oxazole
CID 57498300
5-chloro-3-(4-propoxyphenyl)-1,2-oxazole
CID 80646468
(4-decoxyphenyl) 3-(4-decoxyphenyl)-1,2-oxazole-5-carboxylate
CID 102279891
[3-(4-propoxyphenyl)-1,2-oxazol-5-yl]methyl carbamate
CID 46892868
5-(4-butoxyphenyl)-3-(chloromethyl)-1,2,4-oxadiazole
CID 28941938
[3-(4-ethoxyphenyl)-1,2-oxazol-5-yl]methanol
CID 5200457
5-[3,5-bis[3-(4-propoxyphenyl)-1,2-oxazol-5-yl]phenyl]-3-(4-propoxyphenyl)-1,2-oxazole
CID 53360252
2,5-bis(4-hexoxyphenyl)pyrazine
CID 86183417
3,6-bis(4-decoxyphenyl)pyridazine
CID 101171713

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-3-(4-pentoxyphenyl)-1,2-oxazole?
The IUPAC name of 5-(chloromethyl)-3-(4-pentoxyphenyl)-1,2-oxazole (CID 57498270) is 5-(chloromethyl)-3-(4-pentoxyphenyl)-1,2-oxazole.
What is the SMILES notation for 5-(chloromethyl)-3-(4-pentoxyphenyl)-1,2-oxazole?
The canonical SMILES for 5-(chloromethyl)-3-(4-pentoxyphenyl)-1,2-oxazole is CCCCCOc1ccc(-c2cc(CCl)on2)cc1.
What is the InChIKey of 5-(chloromethyl)-3-(4-pentoxyphenyl)-1,2-oxazole?
The InChIKey is ICYXTXMSQWTFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO2/c1-2-3-4-9-18-13-7-5-12(6-8-13)15-10-14(11-16)19-17-15/h5-8,10H,2-4,9,11H2,1H3.
What are the key properties of 5-(chloromethyl)-3-(4-pentoxyphenyl)-1,2-oxazole?
5-(chloromethyl)-3-(4-pentoxyphenyl)-1,2-oxazole has a molecular weight of 279.77 g/mol, XLogP of 4.65, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-3-(4-pentoxyphenyl)-1,2-oxazole is sourced from PubChem (CID 57498270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).