1-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-2-hydroxypropyl]pyrrolidin-2-one

C14H23N3O3 — CID 111116372

IUPAC1-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-2-hydroxypropyl]pyrrolidin-2-one
SMILESCc1noc(C)c1CN(C)CC(O)CN1CCCC1=O
InChIInChI=1S/C14H23N3O3/c1-10-13(11(2)20-15-10)9-16(3)7-12(18)8-17-6-4-5-14(17)19/h12,18H,4-9H2,1-3H3
InChIKeyVXFDGWNHTNWMJS-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.71
Rot. Bonds6

About 1-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-2-hydroxypropyl]pyrrolidin-2-one

1-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-2-hydroxypropyl]pyrrolidin-2-one (PubChem CID 111116372) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-2-hydroxypropyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-2-hydroxypropyl]pyrrolidin-2-one
PubChem CID111116372
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name1-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-2-hydroxypropyl]pyrrolidin-2-one
SMILESCc1noc(C)c1CN(C)CC(O)CN1CCCC1=O
InChIInChI=1S/C14H23N3O3/c1-10-13(11(2)20-15-10)9-16(3)7-12(18)8-17-6-4-5-14(17)19/h12,18H,4-9H2,1-3H3
InChIKeyVXFDGWNHTNWMJS-UHFFFAOYSA-N
XLogP0.71
TPSA69.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-2-hydroxypropyl]pyrrolidin-2-one with MolForge

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Related Compounds

N-butyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,4-dimethyl-2-oxo-1,3-thiazole-5-carboxamide
CID 46943757
3,5-dimethyl-N-[3-(2-oxo-1-pyrrolidinyl)propyl]-4-isoxazolecarboxamide
CID 2225560
(3,5-Dimethyl-4-isoxazolyl)(morpholino)methanone
CID 2741522
(3,5-Dimethyl-4-isoxazolyl)(1-pyrrolidinyl)methanone
CID 2798231
(3,5-Dimethyl-4-isoxazolyl)(2,6-dimethylmorpholino)methanone
CID 3751691
1-[(4aR,7aS)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-2-methoxyethanone
CID 97377462
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,2-dimethyl-L-alaninamide
CID 75462036
N~1~-[(3,5-Dimethyl-4-isoxazolyl)methyl]-3-methoxypropanamide
CID 71836731
(6R)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,4-oxazepan-6-ol
CID 75536958
1-(3-(Cyclopropylmethoxy)pyrrolidin-1-yl)-2-(3,5-dimethylisoxazol-4-yl)ethanone
CID 91908886
(3S,4S)-N-cyclopropyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(methoxymethyl)pyrrolidine-3-carboxamide
CID 124052309
N-cyclopentyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]propanamide
CID 47358431

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-2-hydroxypropyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-2-hydroxypropyl]pyrrolidin-2-one (CID 111116372) is 1-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-2-hydroxypropyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-2-hydroxypropyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-2-hydroxypropyl]pyrrolidin-2-one is Cc1noc(C)c1CN(C)CC(O)CN1CCCC1=O.
What is the InChIKey of 1-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-2-hydroxypropyl]pyrrolidin-2-one?
The InChIKey is VXFDGWNHTNWMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-10-13(11(2)20-15-10)9-16(3)7-12(18)8-17-6-4-5-14(17)19/h12,18H,4-9H2,1-3H3.
What are the key properties of 1-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-2-hydroxypropyl]pyrrolidin-2-one?
1-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-2-hydroxypropyl]pyrrolidin-2-one has a molecular weight of 281.36 g/mol, XLogP of 0.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-2-hydroxypropyl]pyrrolidin-2-one is sourced from PubChem (CID 111116372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).