1-[(2-cyclopentyloxyphenyl)methyl]-3-[(4-methyl-1,3-oxazol-5-yl)methyl]urea

C18H23N3O3 — CID 136561160

IUPAC1-[(2-cyclopentyloxyphenyl)methyl]-3-[(4-methyl-1,3-oxazol-5-yl)methyl]urea
SMILESCc1ncoc1CNC(=O)NCc1ccccc1OC1CCCC1
InChIInChI=1S/C18H23N3O3/c1-13-17(23-12-21-13)11-20-18(22)19-10-14-6-2-5-9-16(14)24-15-7-3-4-8-15/h2,5-6,9,12,15H,3-4,7-8,10-11H2,1H3,(H2,19,20,22)
InChIKeySKTCGXGHRYGNIS-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.30
Rot. Bonds6

About 1-[(2-cyclopentyloxyphenyl)methyl]-3-[(4-methyl-1,3-oxazol-5-yl)methyl]urea

1-[(2-cyclopentyloxyphenyl)methyl]-3-[(4-methyl-1,3-oxazol-5-yl)methyl]urea (PubChem CID 136561160) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-[(2-cyclopentyloxyphenyl)methyl]-3-[(4-methyl-1,3-oxazol-5-yl)methyl]urea.

Molecular Properties

Compound Name1-[(2-cyclopentyloxyphenyl)methyl]-3-[(4-methyl-1,3-oxazol-5-yl)methyl]urea
PubChem CID136561160
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name1-[(2-cyclopentyloxyphenyl)methyl]-3-[(4-methyl-1,3-oxazol-5-yl)methyl]urea
SMILESCc1ncoc1CNC(=O)NCc1ccccc1OC1CCCC1
InChIInChI=1S/C18H23N3O3/c1-13-17(23-12-21-13)11-20-18(22)19-10-14-6-2-5-9-16(14)24-15-7-3-4-8-15/h2,5-6,9,12,15H,3-4,7-8,10-11H2,1H3,(H2,19,20,22)
InChIKeySKTCGXGHRYGNIS-UHFFFAOYSA-N
XLogP3.30
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-cyclobutyloxyphenyl)methyl]-3-(3-hydroxypropyl)urea
CID 111428441
1-[(2-cyclopentyloxyphenyl)methyl]-3-(3-morpholin-4-yl-3-oxopropyl)urea
CID 51122736
2-amino-N-[(2-cyclopentyloxyphenyl)methyl]acetamide
CID 119284470
1-[(2-cyclobutyloxyphenyl)methyl]-3-(oxan-3-yl)urea
CID 126787197
1-[(2-cyclobutyloxyphenyl)methyl]-3-(2-pyridin-4-ylethyl)urea
CID 71917097
N-[(2-cyclobutyloxyphenyl)methyl]-5-(oxolan-2-yl)-1,3-oxazole-4-carboxamide
CID 71930731
3-amino-N-[(2-cyclopentyloxyphenyl)methyl]propanamide
CID 119284468
N-[(2-cyclobutyloxyphenyl)methyl]-2-(methylamino)acetamide
CID 119796176
(2R)-2-amino-N-[(2-cyclobutyloxyphenyl)methyl]propanamide
CID 119330644
N-[(2-cyclopentyloxyphenyl)methyl]-2-methyl-3-(methylamino)propanamide
CID 119714426
1-[(2-cyclopentyloxyphenyl)methyl]-3-(4-methyl-2-oxopiperidin-3-yl)urea
CID 136540232
N-[(2-cyclopentyloxyphenyl)methyl]-2,3-dimethoxybenzamide
CID 55810457

Frequently Asked Questions

What is the IUPAC name of 1-[(2-cyclopentyloxyphenyl)methyl]-3-[(4-methyl-1,3-oxazol-5-yl)methyl]urea?
The IUPAC name of 1-[(2-cyclopentyloxyphenyl)methyl]-3-[(4-methyl-1,3-oxazol-5-yl)methyl]urea (CID 136561160) is 1-[(2-cyclopentyloxyphenyl)methyl]-3-[(4-methyl-1,3-oxazol-5-yl)methyl]urea.
What is the SMILES notation for 1-[(2-cyclopentyloxyphenyl)methyl]-3-[(4-methyl-1,3-oxazol-5-yl)methyl]urea?
The canonical SMILES for 1-[(2-cyclopentyloxyphenyl)methyl]-3-[(4-methyl-1,3-oxazol-5-yl)methyl]urea is Cc1ncoc1CNC(=O)NCc1ccccc1OC1CCCC1.
What is the InChIKey of 1-[(2-cyclopentyloxyphenyl)methyl]-3-[(4-methyl-1,3-oxazol-5-yl)methyl]urea?
The InChIKey is SKTCGXGHRYGNIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-13-17(23-12-21-13)11-20-18(22)19-10-14-6-2-5-9-16(14)24-15-7-3-4-8-15/h2,5-6,9,12,15H,3-4,7-8,10-11H2,1H3,(H2,19,20,22).
What are the key properties of 1-[(2-cyclopentyloxyphenyl)methyl]-3-[(4-methyl-1,3-oxazol-5-yl)methyl]urea?
1-[(2-cyclopentyloxyphenyl)methyl]-3-[(4-methyl-1,3-oxazol-5-yl)methyl]urea has a molecular weight of 329.40 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-cyclopentyloxyphenyl)methyl]-3-[(4-methyl-1,3-oxazol-5-yl)methyl]urea is sourced from PubChem (CID 136561160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).