[5-(oxan-4-yl)-1,2-oxazol-3-yl]carbamic acid

C9H12N2O4 — CID 140604060

IUPAC[5-(oxan-4-yl)-1,2-oxazol-3-yl]carbamic acid
SMILESO=C(O)Nc1cc(C2CCOCC2)on1
InChIInChI=1S/C9H12N2O4/c12-9(13)10-8-5-7(15-11-8)6-1-3-14-4-2-6/h5-6H,1-4H2,(H,10,11)(H,12,13)
InChIKeyPPOHHGUHKJBSLJ-UHFFFAOYSA-N
MW212.20 g/mol
LogP1.66
Rot. Bonds2

About [5-(oxan-4-yl)-1,2-oxazol-3-yl]carbamic acid

[5-(oxan-4-yl)-1,2-oxazol-3-yl]carbamic acid (PubChem CID 140604060) has the molecular formula C9H12N2O4 and a molecular weight of 212.20 g/mol. Its IUPAC name is [5-(oxan-4-yl)-1,2-oxazol-3-yl]carbamic acid.

Molecular Properties

Compound Name[5-(oxan-4-yl)-1,2-oxazol-3-yl]carbamic acid
PubChem CID140604060
Molecular FormulaC9H12N2O4
Molecular Weight212.20 g/mol
Exact Mass212.08
IUPAC Name[5-(oxan-4-yl)-1,2-oxazol-3-yl]carbamic acid
SMILESO=C(O)Nc1cc(C2CCOCC2)on1
InChIInChI=1S/C9H12N2O4/c12-9(13)10-8-5-7(15-11-8)6-1-3-14-4-2-6/h5-6H,1-4H2,(H,10,11)(H,12,13)
InChIKeyPPOHHGUHKJBSLJ-UHFFFAOYSA-N
XLogP1.66
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 ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(oxan-4-yl)-1,2-oxazol-3-yl]carbamic acid?
The IUPAC name of [5-(oxan-4-yl)-1,2-oxazol-3-yl]carbamic acid (CID 140604060) is [5-(oxan-4-yl)-1,2-oxazol-3-yl]carbamic acid.
What is the SMILES notation for [5-(oxan-4-yl)-1,2-oxazol-3-yl]carbamic acid?
The canonical SMILES for [5-(oxan-4-yl)-1,2-oxazol-3-yl]carbamic acid is O=C(O)Nc1cc(C2CCOCC2)on1.
What is the InChIKey of [5-(oxan-4-yl)-1,2-oxazol-3-yl]carbamic acid?
The InChIKey is PPOHHGUHKJBSLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4/c12-9(13)10-8-5-7(15-11-8)6-1-3-14-4-2-6/h5-6H,1-4H2,(H,10,11)(H,12,13).
What are the key properties of [5-(oxan-4-yl)-1,2-oxazol-3-yl]carbamic acid?
[5-(oxan-4-yl)-1,2-oxazol-3-yl]carbamic acid has a molecular weight of 212.20 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(oxan-4-yl)-1,2-oxazol-3-yl]carbamic acid is sourced from PubChem (CID 140604060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).