1-(furan-2-ylmethyl)-3-[(1R,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-1-[[(2S)-oxolan-2-yl]methyl]urea

C17H24N2O4 — CID 98873470

IUPAC1-(furan-2-ylmethyl)-3-[(1R,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-1-[[(2S)-oxolan-2-yl]methyl]urea
SMILESO=C(N[C@H]1C[C@H]2CC[C@H]1O2)N(Cc1ccco1)C[C@@H]1CCCO1
InChIInChI=1S/C17H24N2O4/c20-17(18-15-9-12-5-6-16(15)23-12)19(10-13-3-1-7-21-13)11-14-4-2-8-22-14/h1,3,7,12,14-16H,2,4-6,8-11H2,(H,18,20)/t12-,14+,15+,16-/m1/s1
InChIKeyNRIKEQPJCFLNCF-SYAUCNOPSA-N
MW320.39 g/mol
LogP2.29
Rot. Bonds5

About 1-(furan-2-ylmethyl)-3-[(1R,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-1-[[(2S)-oxolan-2-yl]methyl]urea

1-(furan-2-ylmethyl)-3-[(1R,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-1-[[(2S)-oxolan-2-yl]methyl]urea (PubChem CID 98873470) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-3-[(1R,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-1-[[(2S)-oxolan-2-yl]methyl]urea.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-3-[(1R,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-1-[[(2S)-oxolan-2-yl]methyl]urea
PubChem CID98873470
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name1-(furan-2-ylmethyl)-3-[(1R,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-1-[[(2S)-oxolan-2-yl]methyl]urea
SMILESO=C(N[C@H]1C[C@H]2CC[C@H]1O2)N(Cc1ccco1)C[C@@H]1CCCO1
InChIInChI=1S/C17H24N2O4/c20-17(18-15-9-12-5-6-16(15)23-12)19(10-13-3-1-7-21-13)11-14-4-2-8-22-14/h1,3,7,12,14-16H,2,4-6,8-11H2,(H,18,20)/t12-,14+,15+,16-/m1/s1
InChIKeyNRIKEQPJCFLNCF-SYAUCNOPSA-N
XLogP2.29
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl)-1-(furan-2-ylmethyl)-1-(oxolan-2-ylmethyl)urea
CID 71917753
3-(dicyclopropylmethyl)-1-(furan-2-ylmethyl)-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 94653061
N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]cyclopropanecarboxamide
CID 772640
3-(2,5-dibromophenyl)-1-(furan-2-ylmethyl)-1-(oxolan-2-ylmethyl)urea
CID 60577447
N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]cyclohexanecarboxamide
CID 772636
(1R,5S)-N-(furan-2-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 97236897
1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 773145
1-(furan-2-ylmethyl)-1-(oxolan-2-ylmethyl)-3-(2-phenylphenyl)urea
CID 60577038
3-(3-acetylphenyl)-1-(furan-2-ylmethyl)-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 94652128
3-(2,4-dichlorophenyl)-1-(furan-2-ylmethyl)-1-(oxolan-2-ylmethyl)urea
CID 42773317
1-(furan-2-ylmethyl)-3-(2-morpholin-4-ylethyl)-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 94594071
1-(furan-2-ylmethyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 94651994

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-3-[(1R,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-1-[[(2S)-oxolan-2-yl]methyl]urea?
The IUPAC name of 1-(furan-2-ylmethyl)-3-[(1R,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-1-[[(2S)-oxolan-2-yl]methyl]urea (CID 98873470) is 1-(furan-2-ylmethyl)-3-[(1R,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-1-[[(2S)-oxolan-2-yl]methyl]urea.
What is the SMILES notation for 1-(furan-2-ylmethyl)-3-[(1R,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-1-[[(2S)-oxolan-2-yl]methyl]urea?
The canonical SMILES for 1-(furan-2-ylmethyl)-3-[(1R,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-1-[[(2S)-oxolan-2-yl]methyl]urea is O=C(N[C@H]1C[C@H]2CC[C@H]1O2)N(Cc1ccco1)C[C@@H]1CCCO1.
What is the InChIKey of 1-(furan-2-ylmethyl)-3-[(1R,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-1-[[(2S)-oxolan-2-yl]methyl]urea?
The InChIKey is NRIKEQPJCFLNCF-SYAUCNOPSA-N. The full InChI is InChI=1S/C17H24N2O4/c20-17(18-15-9-12-5-6-16(15)23-12)19(10-13-3-1-7-21-13)11-14-4-2-8-22-14/h1,3,7,12,14-16H,2,4-6,8-11H2,(H,18,20)/t12-,14+,15+,16-/m1/s1.
What are the key properties of 1-(furan-2-ylmethyl)-3-[(1R,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-1-[[(2S)-oxolan-2-yl]methyl]urea?
1-(furan-2-ylmethyl)-3-[(1R,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-1-[[(2S)-oxolan-2-yl]methyl]urea has a molecular weight of 320.39 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-3-[(1R,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-1-[[(2S)-oxolan-2-yl]methyl]urea is sourced from PubChem (CID 98873470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).