1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(1,2-oxazol-3-ylmethyl)urea

C12H19N3O3 — CID 75432520

IUPAC1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(1,2-oxazol-3-ylmethyl)urea
SMILESCN(CC1CCCC1O)C(=O)NCc1ccon1
InChIInChI=1S/C12H19N3O3/c1-15(8-9-3-2-4-11(9)16)12(17)13-7-10-5-6-18-14-10/h5-6,9,11,16H,2-4,7-8H2,1H3,(H,13,17)
InChIKeyQXDBMAQVFDSDSP-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.98
Rot. Bonds4

About 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(1,2-oxazol-3-ylmethyl)urea

1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(1,2-oxazol-3-ylmethyl)urea (PubChem CID 75432520) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(1,2-oxazol-3-ylmethyl)urea.

Molecular Properties

Compound Name1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(1,2-oxazol-3-ylmethyl)urea
PubChem CID75432520
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(1,2-oxazol-3-ylmethyl)urea
SMILESCN(CC1CCCC1O)C(=O)NCc1ccon1
InChIInChI=1S/C12H19N3O3/c1-15(8-9-3-2-4-11(9)16)12(17)13-7-10-5-6-18-14-10/h5-6,9,11,16H,2-4,7-8H2,1H3,(H,13,17)
InChIKeyQXDBMAQVFDSDSP-UHFFFAOYSA-N
XLogP0.98
TPSA78.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109398881
3-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109398770
3-[(6-chloro-3-pyridinyl)methyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109397875
N-[(2-hydroxycyclopentyl)methyl]-N-methyl-1-(1,2-oxazol-3-yl)methanesulfonamide
CID 109396018
3-[(2,5-difluorophenyl)methyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109398607
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 109398502
1-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-1-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]urea
CID 97242725
1-[[(1R,2R)-2-hydroxycyclopentyl]methyl]-1-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]urea
CID 97242726
1-[(2-hydroxycyclohexyl)methyl]-1-methyl-3-[(4-methylsulfinylphenyl)methyl]urea
CID 86784691
3-[2-(4-ethylphenyl)ethyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109398672
3-[(4,5-dichloro-1-methylpyrrol-2-yl)methyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109398867
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(3-pyridin-2-ylpropyl)urea
CID 75432521

Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(1,2-oxazol-3-ylmethyl)urea?
The IUPAC name of 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(1,2-oxazol-3-ylmethyl)urea (CID 75432520) is 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(1,2-oxazol-3-ylmethyl)urea.
What is the SMILES notation for 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(1,2-oxazol-3-ylmethyl)urea?
The canonical SMILES for 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(1,2-oxazol-3-ylmethyl)urea is CN(CC1CCCC1O)C(=O)NCc1ccon1.
What is the InChIKey of 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(1,2-oxazol-3-ylmethyl)urea?
The InChIKey is QXDBMAQVFDSDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-15(8-9-3-2-4-11(9)16)12(17)13-7-10-5-6-18-14-10/h5-6,9,11,16H,2-4,7-8H2,1H3,(H,13,17).
What are the key properties of 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(1,2-oxazol-3-ylmethyl)urea?
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(1,2-oxazol-3-ylmethyl)urea has a molecular weight of 253.30 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(1,2-oxazol-3-ylmethyl)urea is sourced from PubChem (CID 75432520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).