[(3R,6S)-6-(1,3-oxazol-5-yl)oxan-3-yl]carbamic acid

C9H12N2O4 — CID 135307972

IUPAC[(3R,6S)-6-(1,3-oxazol-5-yl)oxan-3-yl]carbamic acid
SMILESO=C(O)N[C@@H]1CC[C@@H](c2cnco2)OC1
InChIInChI=1S/C9H12N2O4/c12-9(13)11-6-1-2-7(14-4-6)8-3-10-5-15-8/h3,5-7,11H,1-2,4H2,(H,12,13)/t6-,7+/m1/s1
InChIKeyBDJUKEDDXGMJCY-RQJHMYQMSA-N
MW212.20 g/mol
LogP1.16
Rot. Bonds2

About [(3R,6S)-6-(1,3-oxazol-5-yl)oxan-3-yl]carbamic acid

[(3R,6S)-6-(1,3-oxazol-5-yl)oxan-3-yl]carbamic acid (PubChem CID 135307972) has the molecular formula C9H12N2O4 and a molecular weight of 212.20 g/mol. Its IUPAC name is [(3R,6S)-6-(1,3-oxazol-5-yl)oxan-3-yl]carbamic acid.

Molecular Properties

Compound Name[(3R,6S)-6-(1,3-oxazol-5-yl)oxan-3-yl]carbamic acid
PubChem CID135307972
Molecular FormulaC9H12N2O4
Molecular Weight212.20 g/mol
Exact Mass212.08
IUPAC Name[(3R,6S)-6-(1,3-oxazol-5-yl)oxan-3-yl]carbamic acid
SMILESO=C(O)N[C@@H]1CC[C@@H](c2cnco2)OC1
InChIInChI=1S/C9H12N2O4/c12-9(13)11-6-1-2-7(14-4-6)8-3-10-5-15-8/h3,5-7,11H,1-2,4H2,(H,12,13)/t6-,7+/m1/s1
InChIKeyBDJUKEDDXGMJCY-RQJHMYQMSA-N
XLogP1.16
TPSA84.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,6S)-6-(1,3-oxazol-5-yl)oxan-3-amine;hydrochloride
CID 135307753
(3R,6S)-6-(1,3-oxazol-5-yl)oxan-3-amine
CID 135307754
tert-butyl N-[(3R,6S)-6-(1,3-oxazol-5-yl)oxan-3-yl]carbamate
CID 140896687
tert-butyl N-[(6S)-6-(1,3-oxazol-5-yl)oxan-3-yl]carbamate
CID 163868910
[(3R,6R)-6-(1,3-oxazol-5-yl)oxan-3-yl]carbamic acid
CID 174187656
N-ethyl-1-[5-(oxan-2-yl)-1,3-oxazol-2-yl]ethanamine
CID 65181599
N-methyl-1-[5-(oxan-2-yl)-1,3-oxazol-2-yl]ethanamine
CID 65181741
N-[2-[5-(oxan-2-yl)-1,3-oxazol-2-yl]ethyl]propan-2-amine
CID 65182194
N-[1-[5-(oxan-2-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 65183031
N-[[5-(oxan-2-yl)-1,3-oxazol-2-yl]methyl]propan-2-amine
CID 65184341
N-(2-methoxyethyl)-3-[5-(oxan-2-yl)-1,3-oxazol-2-yl]propan-1-amine
CID 65184751
N-ethyl-3-[5-(oxan-2-yl)-1,3-oxazol-2-yl]propan-1-amine
CID 65186919

Frequently Asked Questions

What is the IUPAC name of [(3R,6S)-6-(1,3-oxazol-5-yl)oxan-3-yl]carbamic acid?
The IUPAC name of [(3R,6S)-6-(1,3-oxazol-5-yl)oxan-3-yl]carbamic acid (CID 135307972) is [(3R,6S)-6-(1,3-oxazol-5-yl)oxan-3-yl]carbamic acid.
What is the SMILES notation for [(3R,6S)-6-(1,3-oxazol-5-yl)oxan-3-yl]carbamic acid?
The canonical SMILES for [(3R,6S)-6-(1,3-oxazol-5-yl)oxan-3-yl]carbamic acid is O=C(O)N[C@@H]1CC[C@@H](c2cnco2)OC1.
What is the InChIKey of [(3R,6S)-6-(1,3-oxazol-5-yl)oxan-3-yl]carbamic acid?
The InChIKey is BDJUKEDDXGMJCY-RQJHMYQMSA-N. The full InChI is InChI=1S/C9H12N2O4/c12-9(13)11-6-1-2-7(14-4-6)8-3-10-5-15-8/h3,5-7,11H,1-2,4H2,(H,12,13)/t6-,7+/m1/s1.
What are the key properties of [(3R,6S)-6-(1,3-oxazol-5-yl)oxan-3-yl]carbamic acid?
[(3R,6S)-6-(1,3-oxazol-5-yl)oxan-3-yl]carbamic acid has a molecular weight of 212.20 g/mol, XLogP of 1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,6S)-6-(1,3-oxazol-5-yl)oxan-3-yl]carbamic acid is sourced from PubChem (CID 135307972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).