[4-(5-bromo-2-pyridinyl)-1,3-oxazol-5-yl]methyl N-cyclopentyl-N-methylcarbamate

C16H18BrN3O3 — CID 154637265

IUPAC[4-(5-bromo-2-pyridinyl)-1,3-oxazol-5-yl]methyl N-cyclopentyl-N-methylcarbamate
SMILESCN(C(=O)OCc1ocnc1-c1ccc(Br)cn1)C1CCCC1
InChIInChI=1S/C16H18BrN3O3/c1-20(12-4-2-3-5-12)16(21)22-9-14-15(19-10-23-14)13-7-6-11(17)8-18-13/h6-8,10,12H,2-5,9H2,1H3
InChIKeySEKFDBHTDNPLCW-UHFFFAOYSA-N
MW380.24 g/mol
LogP4.01
Rot. Bonds4

About [4-(5-bromo-2-pyridinyl)-1,3-oxazol-5-yl]methyl N-cyclopentyl-N-methylcarbamate

[4-(5-bromo-2-pyridinyl)-1,3-oxazol-5-yl]methyl N-cyclopentyl-N-methylcarbamate (PubChem CID 154637265) has the molecular formula C16H18BrN3O3 and a molecular weight of 380.24 g/mol. Its IUPAC name is [4-(5-bromo-2-pyridinyl)-1,3-oxazol-5-yl]methyl N-cyclopentyl-N-methylcarbamate.

Molecular Properties

Compound Name[4-(5-bromo-2-pyridinyl)-1,3-oxazol-5-yl]methyl N-cyclopentyl-N-methylcarbamate
PubChem CID154637265
Molecular FormulaC16H18BrN3O3
Molecular Weight380.24 g/mol
Exact Mass379.05
IUPAC Name[4-(5-bromo-2-pyridinyl)-1,3-oxazol-5-yl]methyl N-cyclopentyl-N-methylcarbamate
SMILESCN(C(=O)OCc1ocnc1-c1ccc(Br)cn1)C1CCCC1
InChIInChI=1S/C16H18BrN3O3/c1-20(12-4-2-3-5-12)16(21)22-9-14-15(19-10-23-14)13-7-6-11(17)8-18-13/h6-8,10,12H,2-5,9H2,1H3
InChIKeySEKFDBHTDNPLCW-UHFFFAOYSA-N
XLogP4.01
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.24
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(3-fluoro-4-hydroxyphenyl)-1,3-oxazol-5-yl]methyl N-cyclopentyl-N-methylcarbamate
CID 154637249
[4-(4-bromo-3-fluorocyclohex-2-en-1-yl)-1,3-oxazol-5-yl]methyl N-cyclopentyl-N-methylcarbamate
CID 166852979
[4-(4-methyl-3-prop-2-enylphenyl)-1,3-oxazol-5-yl]methyl N-cyclopentyl-N-methylcarbamate
CID 155009515
[4-(4-hydroxy-3-prop-2-enylphenyl)-1,3-oxazol-5-yl]methyl N-cyclopentyl-N-methylcarbamate
CID 155009592
[5-(5-cyclohexyloxy-2-pyridinyl)-3-methyltriazol-4-yl]methyl N-cyclobutyl-N-methylcarbamate
CID 154936020
2-(4-bromophenoxy)-N-cyclohexyl-N-methylacetamide
CID 46771197
2-(4-bromophenoxy)-N-cycloheptyl-N-methylacetamide
CID 55469833
3-[[6-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1-methyltriazol-4-yl]-3-pyridinyl]oxymethyl]bicyclo[1.1.1]pentane-1-carboxylic acid
CID 155745662
[(Z)-3-amino-2-[amino(methyl)amino]-3-(5-methoxy-2-pyridinyl)prop-2-enyl] N-cyclopentyl-N-methylcarbamate
CID 155745579
2-methylpropyl N-cyclopentyl-N-methylcarbamate
CID 163485016
N-(4-aminocyclohexyl)-5-bromo-N-methylpyridine-2-carboxamide
CID 79121873
trans-(1S,3S)-3-[[6-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1-methylpyrazol-4-yl]-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid
CID 155009359

Frequently Asked Questions

What is the IUPAC name of [4-(5-bromo-2-pyridinyl)-1,3-oxazol-5-yl]methyl N-cyclopentyl-N-methylcarbamate?
The IUPAC name of [4-(5-bromo-2-pyridinyl)-1,3-oxazol-5-yl]methyl N-cyclopentyl-N-methylcarbamate (CID 154637265) is [4-(5-bromo-2-pyridinyl)-1,3-oxazol-5-yl]methyl N-cyclopentyl-N-methylcarbamate.
What is the SMILES notation for [4-(5-bromo-2-pyridinyl)-1,3-oxazol-5-yl]methyl N-cyclopentyl-N-methylcarbamate?
The canonical SMILES for [4-(5-bromo-2-pyridinyl)-1,3-oxazol-5-yl]methyl N-cyclopentyl-N-methylcarbamate is CN(C(=O)OCc1ocnc1-c1ccc(Br)cn1)C1CCCC1.
What is the InChIKey of [4-(5-bromo-2-pyridinyl)-1,3-oxazol-5-yl]methyl N-cyclopentyl-N-methylcarbamate?
The InChIKey is SEKFDBHTDNPLCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3O3/c1-20(12-4-2-3-5-12)16(21)22-9-14-15(19-10-23-14)13-7-6-11(17)8-18-13/h6-8,10,12H,2-5,9H2,1H3.
What are the key properties of [4-(5-bromo-2-pyridinyl)-1,3-oxazol-5-yl]methyl N-cyclopentyl-N-methylcarbamate?
[4-(5-bromo-2-pyridinyl)-1,3-oxazol-5-yl]methyl N-cyclopentyl-N-methylcarbamate has a molecular weight of 380.24 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-bromo-2-pyridinyl)-1,3-oxazol-5-yl]methyl N-cyclopentyl-N-methylcarbamate is sourced from PubChem (CID 154637265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).