2-(2-methoxyphenyl)-5-methyl-4-(piperazin-1-ylmethyl)-1,3-oxazole

C16H21N3O2 — CID 46344229

IUPAC2-(2-methoxyphenyl)-5-methyl-4-(piperazin-1-ylmethyl)-1,3-oxazole
SMILESCOc1ccccc1-c1nc(CN2CCNCC2)c(C)o1
InChIInChI=1S/C16H21N3O2/c1-12-14(11-19-9-7-17-8-10-19)18-16(21-12)13-5-3-4-6-15(13)20-2/h3-6,17H,7-11H2,1-2H3
InChIKeyNMEOYODAFIOOFG-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.06
Rot. Bonds4

About 2-(2-methoxyphenyl)-5-methyl-4-(piperazin-1-ylmethyl)-1,3-oxazole

2-(2-methoxyphenyl)-5-methyl-4-(piperazin-1-ylmethyl)-1,3-oxazole (PubChem CID 46344229) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-5-methyl-4-(piperazin-1-ylmethyl)-1,3-oxazole.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-5-methyl-4-(piperazin-1-ylmethyl)-1,3-oxazole
PubChem CID46344229
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-(2-methoxyphenyl)-5-methyl-4-(piperazin-1-ylmethyl)-1,3-oxazole
SMILESCOc1ccccc1-c1nc(CN2CCNCC2)c(C)o1
InChIInChI=1S/C16H21N3O2/c1-12-14(11-19-9-7-17-8-10-19)18-16(21-12)13-5-3-4-6-15(13)20-2/h3-6,17H,7-11H2,1-2H3
InChIKeyNMEOYODAFIOOFG-UHFFFAOYSA-N
XLogP2.06
TPSA50.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-4-(piperazin-1-ylmethyl)-1,3-oxazole
CID 56754112
2-(2-methoxyphenyl)-4-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 53053460
4-[[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]methyl]-2-(2-methoxyphenyl)-5-methyl-1,3-oxazole
CID 53053463
2-(2-ethoxyphenyl)-4-[(4-methoxypiperidin-1-yl)methyl]-5-methyl-1,3-oxazole
CID 25491864
2-(2-chlorophenyl)-4-[[4-(2-methoxyphenoxy)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 42245325
2-(4-methoxynaphthalen-1-yl)-5-methyl-4-[(3-methylpiperazin-1-yl)methyl]-1,3-oxazole
CID 56739301
4-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-2-(2-methoxyphenyl)-5-methyl-1,3-oxazole
CID 53053476
N-cyclopentyl-4-methoxy-1-[[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide
CID 154571106
2-(4-methoxy-2,3-dimethylphenyl)-5-methyl-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazole
CID 42518336
4-[[2-(4-methoxy-2,3-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]morpholine
CID 56877513
1-[[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-9-methyl-1,9-diazaspiro[4.5]decan-10-one
CID 163312463
3-[(2R)-1-[[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidin-2-yl]-1,4-dihydro-1,2,4-triazol-5-one
CID 135890208

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-5-methyl-4-(piperazin-1-ylmethyl)-1,3-oxazole?
The IUPAC name of 2-(2-methoxyphenyl)-5-methyl-4-(piperazin-1-ylmethyl)-1,3-oxazole (CID 46344229) is 2-(2-methoxyphenyl)-5-methyl-4-(piperazin-1-ylmethyl)-1,3-oxazole.
What is the SMILES notation for 2-(2-methoxyphenyl)-5-methyl-4-(piperazin-1-ylmethyl)-1,3-oxazole?
The canonical SMILES for 2-(2-methoxyphenyl)-5-methyl-4-(piperazin-1-ylmethyl)-1,3-oxazole is COc1ccccc1-c1nc(CN2CCNCC2)c(C)o1.
What is the InChIKey of 2-(2-methoxyphenyl)-5-methyl-4-(piperazin-1-ylmethyl)-1,3-oxazole?
The InChIKey is NMEOYODAFIOOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-12-14(11-19-9-7-17-8-10-19)18-16(21-12)13-5-3-4-6-15(13)20-2/h3-6,17H,7-11H2,1-2H3.
What are the key properties of 2-(2-methoxyphenyl)-5-methyl-4-(piperazin-1-ylmethyl)-1,3-oxazole?
2-(2-methoxyphenyl)-5-methyl-4-(piperazin-1-ylmethyl)-1,3-oxazole has a molecular weight of 287.36 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-5-methyl-4-(piperazin-1-ylmethyl)-1,3-oxazole is sourced from PubChem (CID 46344229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).