(5-tert-butyl-1,3-oxazol-2-yl)carbamic acid

C8H12N2O3 — CID 89048722

IUPAC(5-tert-butyl-1,3-oxazol-2-yl)carbamic acid
SMILESCC(C)(C)c1cnc(NC(=O)O)o1
InChIInChI=1S/C8H12N2O3/c1-8(2,3)5-4-9-6(13-5)10-7(11)12/h4H,1-3H3,(H,9,10)(H,11,12)
InChIKeyYZIFRMKXDHRHOI-UHFFFAOYSA-N
MW184.19 g/mol
LogP2.06
Rot. Bonds1

About (5-tert-butyl-1,3-oxazol-2-yl)carbamic acid

(5-tert-butyl-1,3-oxazol-2-yl)carbamic acid (PubChem CID 89048722) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is (5-tert-butyl-1,3-oxazol-2-yl)carbamic acid.

Molecular Properties

Compound Name(5-tert-butyl-1,3-oxazol-2-yl)carbamic acid
PubChem CID89048722
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name(5-tert-butyl-1,3-oxazol-2-yl)carbamic acid
SMILESCC(C)(C)c1cnc(NC(=O)O)o1
InChIInChI=1S/C8H12N2O3/c1-8(2,3)5-4-9-6(13-5)10-7(11)12/h4H,1-3H3,(H,9,10)(H,11,12)
InChIKeyYZIFRMKXDHRHOI-UHFFFAOYSA-N
XLogP2.06
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-tert-butyl-1,3-oxazol-2-yl)carbamic acid?
The IUPAC name of (5-tert-butyl-1,3-oxazol-2-yl)carbamic acid (CID 89048722) is (5-tert-butyl-1,3-oxazol-2-yl)carbamic acid.
What is the SMILES notation for (5-tert-butyl-1,3-oxazol-2-yl)carbamic acid?
The canonical SMILES for (5-tert-butyl-1,3-oxazol-2-yl)carbamic acid is CC(C)(C)c1cnc(NC(=O)O)o1.
What is the InChIKey of (5-tert-butyl-1,3-oxazol-2-yl)carbamic acid?
The InChIKey is YZIFRMKXDHRHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-8(2,3)5-4-9-6(13-5)10-7(11)12/h4H,1-3H3,(H,9,10)(H,11,12).
What are the key properties of (5-tert-butyl-1,3-oxazol-2-yl)carbamic acid?
(5-tert-butyl-1,3-oxazol-2-yl)carbamic acid has a molecular weight of 184.19 g/mol, XLogP of 2.06, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-tert-butyl-1,3-oxazol-2-yl)carbamic acid is sourced from PubChem (CID 89048722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).