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

C13H20N2O2 — CID 86768650

IUPAC(3,4-dimethylpyrrolidin-1-yl)-(5-propan-2-yl-1,3-oxazol-4-yl)methanone
SMILESCC(C)c1ocnc1C(=O)N1CC(C)C(C)C1
InChIInChI=1S/C13H20N2O2/c1-8(2)12-11(14-7-17-12)13(16)15-5-9(3)10(4)6-15/h7-10H,5-6H2,1-4H3
InChIKeyOJKRKLKXFULZAU-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.53
Rot. Bonds2

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

(3,4-dimethylpyrrolidin-1-yl)-(5-propan-2-yl-1,3-oxazol-4-yl)methanone (PubChem CID 86768650) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is (3,4-dimethylpyrrolidin-1-yl)-(5-propan-2-yl-1,3-oxazol-4-yl)methanone.

Molecular Properties

Compound Name(3,4-dimethylpyrrolidin-1-yl)-(5-propan-2-yl-1,3-oxazol-4-yl)methanone
PubChem CID86768650
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name(3,4-dimethylpyrrolidin-1-yl)-(5-propan-2-yl-1,3-oxazol-4-yl)methanone
SMILESCC(C)c1ocnc1C(=O)N1CC(C)C(C)C1
InChIInChI=1S/C13H20N2O2/c1-8(2)12-11(14-7-17-12)13(16)15-5-9(3)10(4)6-15/h7-10H,5-6H2,1-4H3
InChIKeyOJKRKLKXFULZAU-UHFFFAOYSA-N
XLogP2.53
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(5-Ethyl-1,3-oxazol-4-yl)carbonyl]-2-(4-methylpentyl)morpholine
CID 45193950
7-(2,2-Dimethylpropyl)-2-[(5-ethyl-1,3-oxazol-4-yl)carbonyl]-2,7-diazaspiro[4.5]decan-6-one
CID 45241079
(5-Ethyl-1,3-oxazol-4-yl)-(3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 71874733
(3-Methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-(5-propan-2-yl-1,3-oxazol-4-yl)methanone
CID 71874878
N-[rel-(3R,4S)-1-(cyclobutylmethyl)-4-isopropyl-3-pyrrolidinyl]-5-methyl-1,3-oxazole-4-carboxamide hydrochloride
CID 72918063
1,4-Dioxa-8-azaspiro[4.5]decan-8-yl-(5-propan-2-yl-1,3-oxazol-4-yl)methanone
CID 84583797
2-[(5-Cyclopropyl-1,3-oxazol-4-yl)carbonyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72850378
1-Acetyl-4-[(5-cyclopropyl-1,3-oxazol-4-yl)carbonyl]-1,4-diazepan-6-ol
CID 74242354
1-[(5-Methyl-1,3-oxazol-4-yl)carbonyl]-4-(1-pyrrolidinylcarbonyl)piperidine
CID 70758906
2,3,4,4a,5,6,7,7a-Octahydrocyclopenta[b]pyridin-1-yl-(5-propan-2-yl-1,3-oxazol-4-yl)methanone
CID 71873394
2-Azaspiro[4.5]decan-2-yl-(5-propan-2-yl-1,3-oxazol-4-yl)methanone
CID 71929628
(4S)-1-[(5-cyclopropyl-1,3-oxazol-4-yl)carbonyl]-3,3,4-trimethyl-4-piperidinol
CID 72929517

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylpyrrolidin-1-yl)-(5-propan-2-yl-1,3-oxazol-4-yl)methanone?
The IUPAC name of (3,4-dimethylpyrrolidin-1-yl)-(5-propan-2-yl-1,3-oxazol-4-yl)methanone (CID 86768650) is (3,4-dimethylpyrrolidin-1-yl)-(5-propan-2-yl-1,3-oxazol-4-yl)methanone.
What is the SMILES notation for (3,4-dimethylpyrrolidin-1-yl)-(5-propan-2-yl-1,3-oxazol-4-yl)methanone?
The canonical SMILES for (3,4-dimethylpyrrolidin-1-yl)-(5-propan-2-yl-1,3-oxazol-4-yl)methanone is CC(C)c1ocnc1C(=O)N1CC(C)C(C)C1.
What is the InChIKey of (3,4-dimethylpyrrolidin-1-yl)-(5-propan-2-yl-1,3-oxazol-4-yl)methanone?
The InChIKey is OJKRKLKXFULZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-8(2)12-11(14-7-17-12)13(16)15-5-9(3)10(4)6-15/h7-10H,5-6H2,1-4H3.
What are the key properties of (3,4-dimethylpyrrolidin-1-yl)-(5-propan-2-yl-1,3-oxazol-4-yl)methanone?
(3,4-dimethylpyrrolidin-1-yl)-(5-propan-2-yl-1,3-oxazol-4-yl)methanone has a molecular weight of 236.31 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylpyrrolidin-1-yl)-(5-propan-2-yl-1,3-oxazol-4-yl)methanone is sourced from PubChem (CID 86768650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).