[1-(1,3-oxazol-4-yl)cyclopropyl]carbamic acid

C7H8N2O3 — CID 152685902

IUPAC[1-(1,3-oxazol-4-yl)cyclopropyl]carbamic acid
SMILESO=C(O)NC1(c2cocn2)CC1
InChIInChI=1S/C7H8N2O3/c10-6(11)9-7(1-2-7)5-3-12-4-8-5/h3-4,9H,1-2H2,(H,10,11)
InChIKeyZONVTNJLZOEPJG-UHFFFAOYSA-N
MW168.15 g/mol
LogP0.93
Rot. Bonds2

About [1-(1,3-oxazol-4-yl)cyclopropyl]carbamic acid

[1-(1,3-oxazol-4-yl)cyclopropyl]carbamic acid (PubChem CID 152685902) has the molecular formula C7H8N2O3 and a molecular weight of 168.15 g/mol. Its IUPAC name is [1-(1,3-oxazol-4-yl)cyclopropyl]carbamic acid.

Molecular Properties

Compound Name[1-(1,3-oxazol-4-yl)cyclopropyl]carbamic acid
PubChem CID152685902
Molecular FormulaC7H8N2O3
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC Name[1-(1,3-oxazol-4-yl)cyclopropyl]carbamic acid
SMILESO=C(O)NC1(c2cocn2)CC1
InChIInChI=1S/C7H8N2O3/c10-6(11)9-7(1-2-7)5-3-12-4-8-5/h3-4,9H,1-2H2,(H,10,11)
InChIKeyZONVTNJLZOEPJG-UHFFFAOYSA-N
XLogP0.93
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(1,3-oxazol-4-yl)cyclopropyl]carbamic acid?
The IUPAC name of [1-(1,3-oxazol-4-yl)cyclopropyl]carbamic acid (CID 152685902) is [1-(1,3-oxazol-4-yl)cyclopropyl]carbamic acid.
What is the SMILES notation for [1-(1,3-oxazol-4-yl)cyclopropyl]carbamic acid?
The canonical SMILES for [1-(1,3-oxazol-4-yl)cyclopropyl]carbamic acid is O=C(O)NC1(c2cocn2)CC1.
What is the InChIKey of [1-(1,3-oxazol-4-yl)cyclopropyl]carbamic acid?
The InChIKey is ZONVTNJLZOEPJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3/c10-6(11)9-7(1-2-7)5-3-12-4-8-5/h3-4,9H,1-2H2,(H,10,11).
What are the key properties of [1-(1,3-oxazol-4-yl)cyclopropyl]carbamic acid?
[1-(1,3-oxazol-4-yl)cyclopropyl]carbamic acid has a molecular weight of 168.15 g/mol, XLogP of 0.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,3-oxazol-4-yl)cyclopropyl]carbamic acid is sourced from PubChem (CID 152685902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).