3-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea

C19H26N4O3 — CID 55794546

IUPAC3-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea
SMILESCc1noc(C)c1CN(C)C(=O)NCc1cccnc1OC1CCCC1
InChIInChI=1S/C19H26N4O3/c1-13-17(14(2)26-22-13)12-23(3)19(24)21-11-15-7-6-10-20-18(15)25-16-8-4-5-9-16/h6-7,10,16H,4-5,8-9,11-12H2,1-3H3,(H,21,24)
InChIKeyQQILUIYNGVRKFE-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.35
Rot. Bonds6

About 3-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea

3-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea (PubChem CID 55794546) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 3-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea.

Molecular Properties

Compound Name3-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea
PubChem CID55794546
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name3-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea
SMILESCc1noc(C)c1CN(C)C(=O)NCc1cccnc1OC1CCCC1
InChIInChI=1S/C19H26N4O3/c1-13-17(14(2)26-22-13)12-23(3)19(24)21-11-15-7-6-10-20-18(15)25-16-8-4-5-9-16/h6-7,10,16H,4-5,8-9,11-12H2,1-3H3,(H,21,24)
InChIKeyQQILUIYNGVRKFE-UHFFFAOYSA-N
XLogP3.35
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea with MolForge

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Related Compounds

3-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-[(4-methoxyphenyl)methyl]-1-methylurea
CID 55795149
3-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-(1,2-dimethylpiperidin-4-yl)-1-methylurea
CID 166217164
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-1-(pyridin-4-ylmethyl)urea
CID 47862151
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-[(2S)-oxolan-2-yl]acetamide
CID 94026468
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2,3-dimethylbenzamide
CID 47029217
1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-[4-(dimethylamino)-2-methylphenyl]urea
CID 55704797
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(2,4-dimethylphenyl)propanamide
CID 55659744
N-[2-[(2-cyclopentyloxy-3-pyridinyl)methylamino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 55659721
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]quinoline-5-carboxamide
CID 71896675
ethyl 4-[N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-N'-methylcarbamimidoyl]piperazine-1-carboxylate;hydroiodide
CID 111162645
3-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1,2-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine
CID 109421734
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-phenylsulfanylpropanamide
CID 46434537

Frequently Asked Questions

What is the IUPAC name of 3-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea?
The IUPAC name of 3-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea (CID 55794546) is 3-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea.
What is the SMILES notation for 3-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea?
The canonical SMILES for 3-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea is Cc1noc(C)c1CN(C)C(=O)NCc1cccnc1OC1CCCC1.
What is the InChIKey of 3-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea?
The InChIKey is QQILUIYNGVRKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-13-17(14(2)26-22-13)12-23(3)19(24)21-11-15-7-6-10-20-18(15)25-16-8-4-5-9-16/h6-7,10,16H,4-5,8-9,11-12H2,1-3H3,(H,21,24).
What are the key properties of 3-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea?
3-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea has a molecular weight of 358.44 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea is sourced from PubChem (CID 55794546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).