(3,5-dimethyl-1,2-oxazol-4-yl)-(2,2-dimethylpyrrolidin-1-yl)methanone

C12H18N2O2 — CID 99787196

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)-(2,2-dimethylpyrrolidin-1-yl)methanone
SMILESCc1noc(C)c1C(=O)N1CCCC1(C)C
InChIInChI=1S/C12H18N2O2/c1-8-10(9(2)16-13-8)11(15)14-7-5-6-12(14,3)4/h5-7H2,1-4H3
InChIKeyIKQQWVNROKGQBX-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.31
Rot. Bonds1

About (3,5-dimethyl-1,2-oxazol-4-yl)-(2,2-dimethylpyrrolidin-1-yl)methanone

(3,5-dimethyl-1,2-oxazol-4-yl)-(2,2-dimethylpyrrolidin-1-yl)methanone (PubChem CID 99787196) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)-(2,2-dimethylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)-(2,2-dimethylpyrrolidin-1-yl)methanone
PubChem CID99787196
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)-(2,2-dimethylpyrrolidin-1-yl)methanone
SMILESCc1noc(C)c1C(=O)N1CCCC1(C)C
InChIInChI=1S/C12H18N2O2/c1-8-10(9(2)16-13-8)11(15)14-7-5-6-12(14,3)4/h5-7H2,1-4H3
InChIKeyIKQQWVNROKGQBX-UHFFFAOYSA-N
XLogP2.31
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(cyclohex-1-en-1-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 1245261
(3-Ethyl-5-methylisoxazol-4-yl)(morpholino)methanone
CID 1245299
(3,5-Dimethyl-1,2-oxazol-4-yl)-[2-(2-methylpropyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 3234303
N,3,5-Trimethylisoxazole-4-carboxamide
CID 5149864
1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-3-methyl-N-propylpiperidine-3-carboxamide
CID 46942636
N-butyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,4-dimethyl-2-oxo-1,3-thiazole-5-carboxamide
CID 46943757
(3-Ethyl-5-methylisoxazol-4-yl)(pyrrolidin-1-yl)methanone
CID 1245980
8-[(3,5-Dimethyl-4-isoxazolyl)carbonyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 1245987
3,5-dimethyl-N-[3-(2-oxo-1-pyrrolidinyl)propyl]-4-isoxazolecarboxamide
CID 2225560
N-(2-(Dimethylamino)ethyl)-3-ethyl-5-methylisoxazole-4-carboxamide
CID 1245014
N-(3-ethylpent-1-yn-3-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 1245925
(3,5-Dimethyl-4-isoxazolyl)(morpholino)methanone
CID 2741522

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-(2,2-dimethylpyrrolidin-1-yl)methanone?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-(2,2-dimethylpyrrolidin-1-yl)methanone (CID 99787196) is (3,5-dimethyl-1,2-oxazol-4-yl)-(2,2-dimethylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)-(2,2-dimethylpyrrolidin-1-yl)methanone?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)-(2,2-dimethylpyrrolidin-1-yl)methanone is Cc1noc(C)c1C(=O)N1CCCC1(C)C.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)-(2,2-dimethylpyrrolidin-1-yl)methanone?
The InChIKey is IKQQWVNROKGQBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-8-10(9(2)16-13-8)11(15)14-7-5-6-12(14,3)4/h5-7H2,1-4H3.
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)-(2,2-dimethylpyrrolidin-1-yl)methanone?
(3,5-dimethyl-1,2-oxazol-4-yl)-(2,2-dimethylpyrrolidin-1-yl)methanone has a molecular weight of 222.29 g/mol, XLogP of 2.31, 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)-(2,2-dimethylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 99787196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).