1-ethyl-3-[[(2R,3S,6S)-3-hydroxy-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]urea

C15H25N3O5 — CID 75366956

IUPAC1-ethyl-3-[[(2R,3S,6S)-3-hydroxy-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]urea
SMILESCCNC(=O)NC[C@H]1O[C@H](Cc2cc(COC)on2)CC[C@@H]1O
InChIInChI=1S/C15H25N3O5/c1-3-16-15(20)17-8-14-13(19)5-4-11(22-14)6-10-7-12(9-21-2)23-18-10/h7,11,13-14,19H,3-6,8-9H2,1-2H3,(H2,16,17,20)/t11-,13-,14+/m0/s1
InChIKeyFOEVEEUWYTUGEQ-FPMFFAJLSA-N
MW327.38 g/mol
LogP0.59
Rot. Bonds7

About 1-ethyl-3-[[(2R,3S,6S)-3-hydroxy-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]urea

1-ethyl-3-[[(2R,3S,6S)-3-hydroxy-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]urea (PubChem CID 75366956) has the molecular formula C15H25N3O5 and a molecular weight of 327.38 g/mol. Its IUPAC name is 1-ethyl-3-[[(2R,3S,6S)-3-hydroxy-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]urea.

Molecular Properties

Compound Name1-ethyl-3-[[(2R,3S,6S)-3-hydroxy-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]urea
PubChem CID75366956
Molecular FormulaC15H25N3O5
Molecular Weight327.38 g/mol
Exact Mass327.18
IUPAC Name1-ethyl-3-[[(2R,3S,6S)-3-hydroxy-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]urea
SMILESCCNC(=O)NC[C@H]1O[C@H](Cc2cc(COC)on2)CC[C@@H]1O
InChIInChI=1S/C15H25N3O5/c1-3-16-15(20)17-8-14-13(19)5-4-11(22-14)6-10-7-12(9-21-2)23-18-10/h7,11,13-14,19H,3-6,8-9H2,1-2H3,(H2,16,17,20)/t11-,13-,14+/m0/s1
InChIKeyFOEVEEUWYTUGEQ-FPMFFAJLSA-N
XLogP0.59
TPSA105.85 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[[(2R,3S,6S)-3-hydroxy-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]urea?
The IUPAC name of 1-ethyl-3-[[(2R,3S,6S)-3-hydroxy-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]urea (CID 75366956) is 1-ethyl-3-[[(2R,3S,6S)-3-hydroxy-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]urea.
What is the SMILES notation for 1-ethyl-3-[[(2R,3S,6S)-3-hydroxy-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]urea?
The canonical SMILES for 1-ethyl-3-[[(2R,3S,6S)-3-hydroxy-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]urea is CCNC(=O)NC[C@H]1O[C@H](Cc2cc(COC)on2)CC[C@@H]1O.
What is the InChIKey of 1-ethyl-3-[[(2R,3S,6S)-3-hydroxy-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]urea?
The InChIKey is FOEVEEUWYTUGEQ-FPMFFAJLSA-N. The full InChI is InChI=1S/C15H25N3O5/c1-3-16-15(20)17-8-14-13(19)5-4-11(22-14)6-10-7-12(9-21-2)23-18-10/h7,11,13-14,19H,3-6,8-9H2,1-2H3,(H2,16,17,20)/t11-,13-,14+/m0/s1.
What are the key properties of 1-ethyl-3-[[(2R,3S,6S)-3-hydroxy-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]urea?
1-ethyl-3-[[(2R,3S,6S)-3-hydroxy-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]urea has a molecular weight of 327.38 g/mol, XLogP of 0.59, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[[(2R,3S,6S)-3-hydroxy-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]urea is sourced from PubChem (CID 75366956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).