4-[[5-chloro-2-(5-methylpyrazin-2-yl)phenoxy]methyl]-1,3-oxazole

C15H12ClN3O2 — CID 178072963

IUPAC4-[[5-chloro-2-(5-methylpyrazin-2-yl)phenoxy]methyl]-1,3-oxazole
SMILESCc1cnc(-c2ccc(Cl)cc2OCc2cocn2)cn1
InChIInChI=1S/C15H12ClN3O2/c1-10-5-18-14(6-17-10)13-3-2-11(16)4-15(13)21-8-12-7-20-9-19-12/h2-7,9H,8H2,1H3
InChIKeyURZIMLLLDKSUGY-UHFFFAOYSA-N
MW301.73 g/mol
LogP3.67
Rot. Bonds4

About 4-[[5-chloro-2-(5-methylpyrazin-2-yl)phenoxy]methyl]-1,3-oxazole

4-[[5-chloro-2-(5-methylpyrazin-2-yl)phenoxy]methyl]-1,3-oxazole (PubChem CID 178072963) has the molecular formula C15H12ClN3O2 and a molecular weight of 301.73 g/mol. Its IUPAC name is 4-[[5-chloro-2-(5-methylpyrazin-2-yl)phenoxy]methyl]-1,3-oxazole.

Molecular Properties

Compound Name4-[[5-chloro-2-(5-methylpyrazin-2-yl)phenoxy]methyl]-1,3-oxazole
PubChem CID178072963
Molecular FormulaC15H12ClN3O2
Molecular Weight301.73 g/mol
Exact Mass301.06
IUPAC Name4-[[5-chloro-2-(5-methylpyrazin-2-yl)phenoxy]methyl]-1,3-oxazole
SMILESCc1cnc(-c2ccc(Cl)cc2OCc2cocn2)cn1
InChIInChI=1S/C15H12ClN3O2/c1-10-5-18-14(6-17-10)13-3-2-11(16)4-15(13)21-8-12-7-20-9-19-12/h2-7,9H,8H2,1H3
InChIKeyURZIMLLLDKSUGY-UHFFFAOYSA-N
XLogP3.67
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.73
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2,4-dichlorophenyl)-1,3-oxazole
CID 76539815
3-[(2,5-dichlorophenoxy)methyl]-5-methyl-1,2-oxazole
CID 78807744
2-(4-fluoro-2-prop-2-ynoxyphenyl)-5-methylpyrazine
CID 178073277
6-(4-chloro-2-methoxyphenyl)pyridin-3-ol
CID 53229509
5-[(5-chloro-2-methylphenoxy)methyl]pyrazin-2-amine
CID 103059224
[6-[4-chloro-2-[(2-methyl-6-morpholin-4-yl-4-pyridinyl)oxy]phenyl]-3-pyridinyl]methanamine
CID 167429110
1-[5-chloro-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]ethanol
CID 55031218
2-[(5-chloro-2-methylphenoxy)methyl]-4-methoxy-6-methylpyridine
CID 82895251
2-chloro-6-[(5-chloro-2-methylphenoxy)methyl]pyridine
CID 79243153
2-chloro-5-[(2,5-dichlorophenoxy)methyl]pyrazine
CID 103054688
4-chloro-7-(5-methylpyrazin-2-yl)-1H-indole
CID 178072896
[2-methyl-6-(5-methylpyrazin-2-yl)pyrimidin-4-yl]methanamine
CID 121206785

Frequently Asked Questions

What is the IUPAC name of 4-[[5-chloro-2-(5-methylpyrazin-2-yl)phenoxy]methyl]-1,3-oxazole?
The IUPAC name of 4-[[5-chloro-2-(5-methylpyrazin-2-yl)phenoxy]methyl]-1,3-oxazole (CID 178072963) is 4-[[5-chloro-2-(5-methylpyrazin-2-yl)phenoxy]methyl]-1,3-oxazole.
What is the SMILES notation for 4-[[5-chloro-2-(5-methylpyrazin-2-yl)phenoxy]methyl]-1,3-oxazole?
The canonical SMILES for 4-[[5-chloro-2-(5-methylpyrazin-2-yl)phenoxy]methyl]-1,3-oxazole is Cc1cnc(-c2ccc(Cl)cc2OCc2cocn2)cn1.
What is the InChIKey of 4-[[5-chloro-2-(5-methylpyrazin-2-yl)phenoxy]methyl]-1,3-oxazole?
The InChIKey is URZIMLLLDKSUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O2/c1-10-5-18-14(6-17-10)13-3-2-11(16)4-15(13)21-8-12-7-20-9-19-12/h2-7,9H,8H2,1H3.
What are the key properties of 4-[[5-chloro-2-(5-methylpyrazin-2-yl)phenoxy]methyl]-1,3-oxazole?
4-[[5-chloro-2-(5-methylpyrazin-2-yl)phenoxy]methyl]-1,3-oxazole has a molecular weight of 301.73 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-chloro-2-(5-methylpyrazin-2-yl)phenoxy]methyl]-1,3-oxazole is sourced from PubChem (CID 178072963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).