(5-propan-2-yl-1,2-oxazol-3-yl) N,N-dimethylcarbamate

C9H14N2O3 — CID 118728305

IUPAC(5-propan-2-yl-1,2-oxazol-3-yl) N,N-dimethylcarbamate
SMILESCC(C)c1cc(OC(=O)N(C)C)no1
InChIInChI=1S/C9H14N2O3/c1-6(2)7-5-8(10-14-7)13-9(12)11(3)4/h5-6H,1-4H3
InChIKeyQTDNZUVVPMDINL-UHFFFAOYSA-N
MW198.22 g/mol
LogP1.86
Rot. Bonds2

About (5-propan-2-yl-1,2-oxazol-3-yl) N,N-dimethylcarbamate

(5-propan-2-yl-1,2-oxazol-3-yl) N,N-dimethylcarbamate (PubChem CID 118728305) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is (5-propan-2-yl-1,2-oxazol-3-yl) N,N-dimethylcarbamate.

Molecular Properties

Compound Name(5-propan-2-yl-1,2-oxazol-3-yl) N,N-dimethylcarbamate
PubChem CID118728305
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name(5-propan-2-yl-1,2-oxazol-3-yl) N,N-dimethylcarbamate
SMILESCC(C)c1cc(OC(=O)N(C)C)no1
InChIInChI=1S/C9H14N2O3/c1-6(2)7-5-8(10-14-7)13-9(12)11(3)4/h5-6H,1-4H3
InChIKeyQTDNZUVVPMDINL-UHFFFAOYSA-N
XLogP1.86
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-propan-2-yl-1,2-oxazol-3-yl) N,N-dimethylcarbamate?
The IUPAC name of (5-propan-2-yl-1,2-oxazol-3-yl) N,N-dimethylcarbamate (CID 118728305) is (5-propan-2-yl-1,2-oxazol-3-yl) N,N-dimethylcarbamate.
What is the SMILES notation for (5-propan-2-yl-1,2-oxazol-3-yl) N,N-dimethylcarbamate?
The canonical SMILES for (5-propan-2-yl-1,2-oxazol-3-yl) N,N-dimethylcarbamate is CC(C)c1cc(OC(=O)N(C)C)no1.
What is the InChIKey of (5-propan-2-yl-1,2-oxazol-3-yl) N,N-dimethylcarbamate?
The InChIKey is QTDNZUVVPMDINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-6(2)7-5-8(10-14-7)13-9(12)11(3)4/h5-6H,1-4H3.
What are the key properties of (5-propan-2-yl-1,2-oxazol-3-yl) N,N-dimethylcarbamate?
(5-propan-2-yl-1,2-oxazol-3-yl) N,N-dimethylcarbamate has a molecular weight of 198.22 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-propan-2-yl-1,2-oxazol-3-yl) N,N-dimethylcarbamate is sourced from PubChem (CID 118728305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).