1-(1,2-oxazol-5-ylmethyl)-3-(propan-2-ylamino)pyrrolidin-2-one

C11H17N3O2 — CID 106421362

IUPAC1-(1,2-oxazol-5-ylmethyl)-3-(propan-2-ylamino)pyrrolidin-2-one
SMILESCC(C)NC1CCN(Cc2ccno2)C1=O
InChIInChI=1S/C11H17N3O2/c1-8(2)13-10-4-6-14(11(10)15)7-9-3-5-12-16-9/h3,5,8,10,13H,4,6-7H2,1-2H3
InChIKeyBEDSIYWINAIDDX-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.77
Rot. Bonds4

About 1-(1,2-oxazol-5-ylmethyl)-3-(propan-2-ylamino)pyrrolidin-2-one

1-(1,2-oxazol-5-ylmethyl)-3-(propan-2-ylamino)pyrrolidin-2-one (PubChem CID 106421362) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 1-(1,2-oxazol-5-ylmethyl)-3-(propan-2-ylamino)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(1,2-oxazol-5-ylmethyl)-3-(propan-2-ylamino)pyrrolidin-2-one
PubChem CID106421362
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name1-(1,2-oxazol-5-ylmethyl)-3-(propan-2-ylamino)pyrrolidin-2-one
SMILESCC(C)NC1CCN(Cc2ccno2)C1=O
InChIInChI=1S/C11H17N3O2/c1-8(2)13-10-4-6-14(11(10)15)7-9-3-5-12-16-9/h3,5,8,10,13H,4,6-7H2,1-2H3
InChIKeyBEDSIYWINAIDDX-UHFFFAOYSA-N
XLogP0.77
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(ethylamino)-1-(1,2-oxazol-5-ylmethyl)piperidin-2-one
CID 106421364
5-methyl-3-(methylamino)-1-(1,2-oxazol-5-ylmethyl)azepan-2-one
CID 20589783
3-tert-butyl-1-(1,2-oxazol-5-ylmethyl)-1,4-diazepane-2,5-dione
CID 106422227
N-[[1-(1,2-oxazol-5-ylmethyl)piperidin-2-yl]methyl]propan-2-amine
CID 55256464
3-(propan-2-ylamino)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-2-one
CID 79237666
4-[[2-oxo-3-(propan-2-ylamino)pyrrolidin-1-yl]methyl]-3H-1,3-thiazol-2-one
CID 114181804
2-(1,2-oxazol-5-ylmethyl)-3-propan-2-yl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 106422187
N-[[1-(1,2-oxazol-5-ylmethyl)piperidin-3-yl]methyl]propan-2-amine
CID 63241848
1-[2-(5-chlorothiophen-2-yl)ethyl]-3-(propan-2-ylamino)pyrrolidin-2-one
CID 106039892
3-methyl-2-(1,2-oxazol-5-ylmethyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 106422203
1-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-3-(propan-2-ylamino)pyrrolidin-2-one
CID 104703526
5-[(2-methylpyrrolidin-1-yl)methyl]-1,2-oxazole
CID 130739945

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-oxazol-5-ylmethyl)-3-(propan-2-ylamino)pyrrolidin-2-one?
The IUPAC name of 1-(1,2-oxazol-5-ylmethyl)-3-(propan-2-ylamino)pyrrolidin-2-one (CID 106421362) is 1-(1,2-oxazol-5-ylmethyl)-3-(propan-2-ylamino)pyrrolidin-2-one.
What is the SMILES notation for 1-(1,2-oxazol-5-ylmethyl)-3-(propan-2-ylamino)pyrrolidin-2-one?
The canonical SMILES for 1-(1,2-oxazol-5-ylmethyl)-3-(propan-2-ylamino)pyrrolidin-2-one is CC(C)NC1CCN(Cc2ccno2)C1=O.
What is the InChIKey of 1-(1,2-oxazol-5-ylmethyl)-3-(propan-2-ylamino)pyrrolidin-2-one?
The InChIKey is BEDSIYWINAIDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-8(2)13-10-4-6-14(11(10)15)7-9-3-5-12-16-9/h3,5,8,10,13H,4,6-7H2,1-2H3.
What are the key properties of 1-(1,2-oxazol-5-ylmethyl)-3-(propan-2-ylamino)pyrrolidin-2-one?
1-(1,2-oxazol-5-ylmethyl)-3-(propan-2-ylamino)pyrrolidin-2-one has a molecular weight of 223.28 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-oxazol-5-ylmethyl)-3-(propan-2-ylamino)pyrrolidin-2-one is sourced from PubChem (CID 106421362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).