4-methoxy-2-(3-methylpiperidin-3-yl)-1,3-benzoxazole

C14H18N2O2 — CID 114765029

IUPAC4-methoxy-2-(3-methylpiperidin-3-yl)-1,3-benzoxazole
SMILESCOc1cccc2oc(C3(C)CCCNC3)nc12
InChIInChI=1S/C14H18N2O2/c1-14(7-4-8-15-9-14)13-16-12-10(17-2)5-3-6-11(12)18-13/h3,5-6,15H,4,7-9H2,1-2H3
InChIKeySUKNFMMZKYNMRQ-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.48
Rot. Bonds2

About 4-methoxy-2-(3-methylpiperidin-3-yl)-1,3-benzoxazole

4-methoxy-2-(3-methylpiperidin-3-yl)-1,3-benzoxazole (PubChem CID 114765029) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 4-methoxy-2-(3-methylpiperidin-3-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name4-methoxy-2-(3-methylpiperidin-3-yl)-1,3-benzoxazole
PubChem CID114765029
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name4-methoxy-2-(3-methylpiperidin-3-yl)-1,3-benzoxazole
SMILESCOc1cccc2oc(C3(C)CCCNC3)nc12
InChIInChI=1S/C14H18N2O2/c1-14(7-4-8-15-9-14)13-16-12-10(17-2)5-3-6-11(12)18-13/h3,5-6,15H,4,7-9H2,1-2H3
InChIKeySUKNFMMZKYNMRQ-UHFFFAOYSA-N
XLogP2.48
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-(3-methylpyrrolidin-3-yl)-1,3-benzoxazole
CID 63145028
4-methoxy-2-(2-propylpyrrolidin-2-yl)-1,3-benzoxazole
CID 106978073
3-(2-methoxyphenyl)-5-(3-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 63145179
2-(1-methylcyclohexyl)-1,3-benzoxazole-4-carboxylic acid
CID 106829419
3-(2-methoxyphenyl)-3-methylpyrrolidine
CID 62354573
2-(3-ethylpyrrolidin-3-yl)-4-methyl-1,3-benzoxazole
CID 55165181
4-methoxy-2-(piperidin-4-yloxymethyl)-1,3-benzoxazole
CID 114764927
4-methoxy-2-(pyrrolidin-2-ylmethyl)-1,3-benzoxazole
CID 114765024
3-methoxy-3-(2-methoxyphenyl)piperidine
CID 83822639
2-(chloromethyl)-4-methoxy-1,3-benzoxazole
CID 11820045
4-methoxy-2-(1,2,3,4-tetrahydroquinolin-5-yl)-1,3-benzoxazole
CID 114764886
4-methoxy-2-morpholin-3-yl-1,3-benzoxazole
CID 114764868

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(3-methylpiperidin-3-yl)-1,3-benzoxazole?
The IUPAC name of 4-methoxy-2-(3-methylpiperidin-3-yl)-1,3-benzoxazole (CID 114765029) is 4-methoxy-2-(3-methylpiperidin-3-yl)-1,3-benzoxazole.
What is the SMILES notation for 4-methoxy-2-(3-methylpiperidin-3-yl)-1,3-benzoxazole?
The canonical SMILES for 4-methoxy-2-(3-methylpiperidin-3-yl)-1,3-benzoxazole is COc1cccc2oc(C3(C)CCCNC3)nc12.
What is the InChIKey of 4-methoxy-2-(3-methylpiperidin-3-yl)-1,3-benzoxazole?
The InChIKey is SUKNFMMZKYNMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-14(7-4-8-15-9-14)13-16-12-10(17-2)5-3-6-11(12)18-13/h3,5-6,15H,4,7-9H2,1-2H3.
What are the key properties of 4-methoxy-2-(3-methylpiperidin-3-yl)-1,3-benzoxazole?
4-methoxy-2-(3-methylpiperidin-3-yl)-1,3-benzoxazole has a molecular weight of 246.31 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(3-methylpiperidin-3-yl)-1,3-benzoxazole is sourced from PubChem (CID 114765029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).