1-[(1R)-1-(5-methylfuran-2-yl)ethyl]-3-[[(2S)-oxolan-2-yl]methyl]urea

C13H20N2O3 — CID 94026796

IUPAC1-[(1R)-1-(5-methylfuran-2-yl)ethyl]-3-[[(2S)-oxolan-2-yl]methyl]urea
SMILESCc1ccc([C@@H](C)NC(=O)NC[C@@H]2CCCO2)o1
InChIInChI=1S/C13H20N2O3/c1-9-5-6-12(18-9)10(2)15-13(16)14-8-11-4-3-7-17-11/h5-6,10-11H,3-4,7-8H2,1-2H3,(H2,14,15,16)/t10-,11+/m1/s1
InChIKeyPZHLKLJTTFMZMV-MNOVXSKESA-N
MW252.31 g/mol
LogP2.13
Rot. Bonds4

About 1-[(1R)-1-(5-methylfuran-2-yl)ethyl]-3-[[(2S)-oxolan-2-yl]methyl]urea

1-[(1R)-1-(5-methylfuran-2-yl)ethyl]-3-[[(2S)-oxolan-2-yl]methyl]urea (PubChem CID 94026796) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 1-[(1R)-1-(5-methylfuran-2-yl)ethyl]-3-[[(2S)-oxolan-2-yl]methyl]urea.

Molecular Properties

Compound Name1-[(1R)-1-(5-methylfuran-2-yl)ethyl]-3-[[(2S)-oxolan-2-yl]methyl]urea
PubChem CID94026796
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name1-[(1R)-1-(5-methylfuran-2-yl)ethyl]-3-[[(2S)-oxolan-2-yl]methyl]urea
SMILESCc1ccc([C@@H](C)NC(=O)NC[C@@H]2CCCO2)o1
InChIInChI=1S/C13H20N2O3/c1-9-5-6-12(18-9)10(2)15-13(16)14-8-11-4-3-7-17-11/h5-6,10-11H,3-4,7-8H2,1-2H3,(H2,14,15,16)/t10-,11+/m1/s1
InChIKeyPZHLKLJTTFMZMV-MNOVXSKESA-N
XLogP2.13
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(1R)-1-(5-methylfuran-2-yl)ethyl]-3-[[(2S)-oxolan-2-yl]methyl]urea with MolForge

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Related Compounds

1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-(oxolan-2-ylmethyl)urea
CID 47216645
1-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 29024878
2-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]acetic acid
CID 61479193
(2R)-2-[[(2S)-oxolan-2-yl]methylcarbamoylamino]-N-phenylpropanamide
CID 95767130
3-methyl-2-(oxolan-2-ylmethylcarbamoylamino)butanoic acid
CID 3352161
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-[1-(5-methylfuran-2-yl)ethyl]-3-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 111655211
4-(oxolan-2-ylmethylcarbamoylamino)-N-propan-2-ylbenzamide
CID 17180641
1-[3-[cyclohexyl(methyl)amino]propyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea
CID 86993780
4-methyl-2-(oxolan-2-ylmethylcarbamoylamino)pentanoic acid
CID 4037281
1-(5-methylfuran-2-yl)-N-[2-(oxan-2-yl)ethyl]ethanamine
CID 113364696
1-(1-hydroxy-4-methylpentan-3-yl)-3-(oxolan-2-ylmethyl)urea
CID 111470902
(2R)-2-(4-methylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 837819

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(5-methylfuran-2-yl)ethyl]-3-[[(2S)-oxolan-2-yl]methyl]urea?
The IUPAC name of 1-[(1R)-1-(5-methylfuran-2-yl)ethyl]-3-[[(2S)-oxolan-2-yl]methyl]urea (CID 94026796) is 1-[(1R)-1-(5-methylfuran-2-yl)ethyl]-3-[[(2S)-oxolan-2-yl]methyl]urea.
What is the SMILES notation for 1-[(1R)-1-(5-methylfuran-2-yl)ethyl]-3-[[(2S)-oxolan-2-yl]methyl]urea?
The canonical SMILES for 1-[(1R)-1-(5-methylfuran-2-yl)ethyl]-3-[[(2S)-oxolan-2-yl]methyl]urea is Cc1ccc([C@@H](C)NC(=O)NC[C@@H]2CCCO2)o1.
What is the InChIKey of 1-[(1R)-1-(5-methylfuran-2-yl)ethyl]-3-[[(2S)-oxolan-2-yl]methyl]urea?
The InChIKey is PZHLKLJTTFMZMV-MNOVXSKESA-N. The full InChI is InChI=1S/C13H20N2O3/c1-9-5-6-12(18-9)10(2)15-13(16)14-8-11-4-3-7-17-11/h5-6,10-11H,3-4,7-8H2,1-2H3,(H2,14,15,16)/t10-,11+/m1/s1.
What are the key properties of 1-[(1R)-1-(5-methylfuran-2-yl)ethyl]-3-[[(2S)-oxolan-2-yl]methyl]urea?
1-[(1R)-1-(5-methylfuran-2-yl)ethyl]-3-[[(2S)-oxolan-2-yl]methyl]urea has a molecular weight of 252.31 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(5-methylfuran-2-yl)ethyl]-3-[[(2S)-oxolan-2-yl]methyl]urea is sourced from PubChem (CID 94026796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).