(3,5-dimethyl-1,2-oxazol-4-yl)-pyrrolidin-1-ylmethanone

C10H14N2O2 — CID 2798231

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)-pyrrolidin-1-ylmethanone
SMILESCc1noc(C)c1C(=O)N1CCCC1
InChIInChI=1S/C10H14N2O2/c1-7-9(8(2)14-11-7)10(13)12-5-3-4-6-12/h3-6H2,1-2H3
InChIKeyVVPTWJKVJGQBRN-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.53
Rot. Bonds1

About (3,5-dimethyl-1,2-oxazol-4-yl)-pyrrolidin-1-ylmethanone

(3,5-dimethyl-1,2-oxazol-4-yl)-pyrrolidin-1-ylmethanone (PubChem CID 2798231) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)-pyrrolidin-1-ylmethanone
PubChem CID2798231
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)-pyrrolidin-1-ylmethanone
SMILESCc1noc(C)c1C(=O)N1CCCC1
InChIInChI=1S/C10H14N2O2/c1-7-9(8(2)14-11-7)10(13)12-5-3-4-6-12/h3-6H2,1-2H3
InChIKeyVVPTWJKVJGQBRN-UHFFFAOYSA-N
XLogP1.53
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-pyrrolidin-1-ylmethanone (CID 2798231) is (3,5-dimethyl-1,2-oxazol-4-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)-pyrrolidin-1-ylmethanone is Cc1noc(C)c1C(=O)N1CCCC1.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is VVPTWJKVJGQBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-7-9(8(2)14-11-7)10(13)12-5-3-4-6-12/h3-6H2,1-2H3.
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)-pyrrolidin-1-ylmethanone?
(3,5-dimethyl-1,2-oxazol-4-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 194.23 g/mol, XLogP of 1.53, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,2-oxazol-4-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 2798231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).