2-[[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl-methylamino]methyl]cyclopentan-1-ol

C18H24N2O3 — CID 109398384

IUPAC2-[[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl-methylamino]methyl]cyclopentan-1-ol
SMILESCOc1ccc(-c2nc(CN(C)CC3CCCC3O)co2)cc1
InChIInChI=1S/C18H24N2O3/c1-20(10-14-4-3-5-17(14)21)11-15-12-23-18(19-15)13-6-8-16(22-2)9-7-13/h6-9,12,14,17,21H,3-5,10-11H2,1-2H3
InChIKeySVHDNICBANQVLG-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.94
Rot. Bonds6

About 2-[[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl-methylamino]methyl]cyclopentan-1-ol

2-[[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl-methylamino]methyl]cyclopentan-1-ol (PubChem CID 109398384) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 2-[[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl-methylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl-methylamino]methyl]cyclopentan-1-ol
PubChem CID109398384
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name2-[[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl-methylamino]methyl]cyclopentan-1-ol
SMILESCOc1ccc(-c2nc(CN(C)CC3CCCC3O)co2)cc1
InChIInChI=1S/C18H24N2O3/c1-20(10-14-4-3-5-17(14)21)11-15-12-23-18(19-15)13-6-8-16(22-2)9-7-13/h6-9,12,14,17,21H,3-5,10-11H2,1-2H3
InChIKeySVHDNICBANQVLG-UHFFFAOYSA-N
XLogP2.94
TPSA58.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-methylbutan-1-amine
CID 56664992
1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl-methylamino]-2-methylpropan-2-ol
CID 111336384
2-[cyclopentyl-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]amino]acetamide
CID 56813192
2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-[(2-hydroxycyclopentyl)methyl]-N-methylacetamide
CID 109400397
N-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 109400323
1-[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]-N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-methylmethanamine
CID 128984497
N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-4-methoxy-N-methylaniline
CID 56662391
1-[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]-N-[[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-methylmethanamine
CID 56668338
N-benzyl-1-[1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]-N-methylmethanamine
CID 56509250
1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]piperidine-4-carboxylic acid;hydrochloride
CID 119907388
[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl cyclohexanecarboxylate
CID 55538994
[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl 2-cyclopentylacetate
CID 55538335

Frequently Asked Questions

What is the IUPAC name of 2-[[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl-methylamino]methyl]cyclopentan-1-ol?
The IUPAC name of 2-[[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl-methylamino]methyl]cyclopentan-1-ol (CID 109398384) is 2-[[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl-methylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 2-[[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl-methylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 2-[[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl-methylamino]methyl]cyclopentan-1-ol is COc1ccc(-c2nc(CN(C)CC3CCCC3O)co2)cc1.
What is the InChIKey of 2-[[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl-methylamino]methyl]cyclopentan-1-ol?
The InChIKey is SVHDNICBANQVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-20(10-14-4-3-5-17(14)21)11-15-12-23-18(19-15)13-6-8-16(22-2)9-7-13/h6-9,12,14,17,21H,3-5,10-11H2,1-2H3.
What are the key properties of 2-[[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl-methylamino]methyl]cyclopentan-1-ol?
2-[[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl-methylamino]methyl]cyclopentan-1-ol has a molecular weight of 316.40 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl-methylamino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 109398384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).