[2-[(3,4-dimethoxyphenyl)methyl]-1,3-benzoxazol-6-yl]-[2-(methoxymethyl)piperidin-1-yl]methanone

C24H28N2O5 — CID 24817473

IUPAC[2-[(3,4-dimethoxyphenyl)methyl]-1,3-benzoxazol-6-yl]-[2-(methoxymethyl)piperidin-1-yl]methanone
SMILESCOCC1CCCCN1C(=O)c1ccc2nc(Cc3ccc(OC)c(OC)c3)oc2c1
InChIInChI=1S/C24H28N2O5/c1-28-15-18-6-4-5-11-26(18)24(27)17-8-9-19-21(14-17)31-23(25-19)13-16-7-10-20(29-2)22(12-16)30-3/h7-10,12,14,18H,4-6,11,13,15H2,1-3H3
InChIKeyCTHQNOJMXFRMLA-UHFFFAOYSA-N
MW424.50 g/mol
LogP4.08
Rot. Bonds7

About [2-[(3,4-dimethoxyphenyl)methyl]-1,3-benzoxazol-6-yl]-[2-(methoxymethyl)piperidin-1-yl]methanone

[2-[(3,4-dimethoxyphenyl)methyl]-1,3-benzoxazol-6-yl]-[2-(methoxymethyl)piperidin-1-yl]methanone (PubChem CID 24817473) has the molecular formula C24H28N2O5 and a molecular weight of 424.50 g/mol. Its IUPAC name is [2-[(3,4-dimethoxyphenyl)methyl]-1,3-benzoxazol-6-yl]-[2-(methoxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-[(3,4-dimethoxyphenyl)methyl]-1,3-benzoxazol-6-yl]-[2-(methoxymethyl)piperidin-1-yl]methanone
PubChem CID24817473
Molecular FormulaC24H28N2O5
Molecular Weight424.50 g/mol
Exact Mass424.20
IUPAC Name[2-[(3,4-dimethoxyphenyl)methyl]-1,3-benzoxazol-6-yl]-[2-(methoxymethyl)piperidin-1-yl]methanone
SMILESCOCC1CCCCN1C(=O)c1ccc2nc(Cc3ccc(OC)c(OC)c3)oc2c1
InChIInChI=1S/C24H28N2O5/c1-28-15-18-6-4-5-11-26(18)24(27)17-8-9-19-21(14-17)31-23(25-19)13-16-7-10-20(29-2)22(12-16)30-3/h7-10,12,14,18H,4-6,11,13,15H2,1-3H3
InChIKeyCTHQNOJMXFRMLA-UHFFFAOYSA-N
XLogP4.08
TPSA74.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-[(3,4-dimethoxyphenyl)methyl]-1,3-benzoxazol-6-yl]-[2-(methoxymethyl)piperidin-1-yl]methanone with MolForge

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Related Compounds

4-(6-Methyl-benzooxazol-2-yl)-phenol
CID 834576
2-(3,4-Dimethoxyphenyl)-5-nitro-1,3-benzoxazole
CID 888274
2-(3,4-Dimethoxyphenyl)benzoxazole
CID 2848160
2-(4-Methoxyphenyl)benzo[d]oxazole
CID 483837
3,4,5-triethoxy-N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 1497034
2-[1-[4-[(3-Phenyl-2,3-dihydro-1,4-benzodioxin-2-yl)methoxy]butyl]piperidin-4-yl]-1,3-benzoxazole
CID 85471164
2-[1-[5-[(3-Phenyl-2,3-dihydro-1,4-benzodioxin-2-yl)methoxy]pentyl]piperidin-4-yl]-1,3-benzoxazole
CID 85471286
2-(4-methoxybenzyl)-N-(2-methylprop-2-en-1-yl)-1,3-benzoxazole-6-carboxamide
CID 23723678
2-butyl-N-methyl-N-(oxan-4-yl)-1,3-benzoxazole-5-carboxamide
CID 24790508
3,4,5-triethoxy-N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 1112717
N-(1-(3-ethoxy-4-methoxybenzyl)piperidin-4-yl)benzo[d]oxazol-2-amine
CID 11848624
N-(1-(4-methoxy-3-propoxybenzyl)piperidin-4-yl)benzo[d]oxazol-2-amine
CID 24740753

Frequently Asked Questions

What is the IUPAC name of [2-[(3,4-dimethoxyphenyl)methyl]-1,3-benzoxazol-6-yl]-[2-(methoxymethyl)piperidin-1-yl]methanone?
The IUPAC name of [2-[(3,4-dimethoxyphenyl)methyl]-1,3-benzoxazol-6-yl]-[2-(methoxymethyl)piperidin-1-yl]methanone (CID 24817473) is [2-[(3,4-dimethoxyphenyl)methyl]-1,3-benzoxazol-6-yl]-[2-(methoxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [2-[(3,4-dimethoxyphenyl)methyl]-1,3-benzoxazol-6-yl]-[2-(methoxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for [2-[(3,4-dimethoxyphenyl)methyl]-1,3-benzoxazol-6-yl]-[2-(methoxymethyl)piperidin-1-yl]methanone is COCC1CCCCN1C(=O)c1ccc2nc(Cc3ccc(OC)c(OC)c3)oc2c1.
What is the InChIKey of [2-[(3,4-dimethoxyphenyl)methyl]-1,3-benzoxazol-6-yl]-[2-(methoxymethyl)piperidin-1-yl]methanone?
The InChIKey is CTHQNOJMXFRMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O5/c1-28-15-18-6-4-5-11-26(18)24(27)17-8-9-19-21(14-17)31-23(25-19)13-16-7-10-20(29-2)22(12-16)30-3/h7-10,12,14,18H,4-6,11,13,15H2,1-3H3.
What are the key properties of [2-[(3,4-dimethoxyphenyl)methyl]-1,3-benzoxazol-6-yl]-[2-(methoxymethyl)piperidin-1-yl]methanone?
[2-[(3,4-dimethoxyphenyl)methyl]-1,3-benzoxazol-6-yl]-[2-(methoxymethyl)piperidin-1-yl]methanone has a molecular weight of 424.50 g/mol, XLogP of 4.08, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3,4-dimethoxyphenyl)methyl]-1,3-benzoxazol-6-yl]-[2-(methoxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 24817473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).