(3S,4S)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-4-(methoxymethyl)-N-methylpyrrolidine-3-carboxamide

C14H21N3O4 — CID 110203524

IUPAC(3S,4S)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-4-(methoxymethyl)-N-methylpyrrolidine-3-carboxamide
SMILESCNC(=O)[C@@H]1CN(C(=O)c2c(C)noc2C)C[C@H]1COC
InChIInChI=1S/C14H21N3O4/c1-8-12(9(2)21-16-8)14(19)17-5-10(7-20-4)11(6-17)13(18)15-3/h10-11H,5-7H2,1-4H3,(H,15,18)/t10-,11+/m0/s1
InChIKeyJLUHMHRNBNBWTR-WDEREUQCSA-N
MW295.34 g/mol
LogP0.37
Rot. Bonds4

About (3S,4S)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-4-(methoxymethyl)-N-methylpyrrolidine-3-carboxamide

(3S,4S)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-4-(methoxymethyl)-N-methylpyrrolidine-3-carboxamide (PubChem CID 110203524) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is (3S,4S)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-4-(methoxymethyl)-N-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4S)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-4-(methoxymethyl)-N-methylpyrrolidine-3-carboxamide
PubChem CID110203524
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Name(3S,4S)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-4-(methoxymethyl)-N-methylpyrrolidine-3-carboxamide
SMILESCNC(=O)[C@@H]1CN(C(=O)c2c(C)noc2C)C[C@H]1COC
InChIInChI=1S/C14H21N3O4/c1-8-12(9(2)21-16-8)14(19)17-5-10(7-20-4)11(6-17)13(18)15-3/h10-11H,5-7H2,1-4H3,(H,15,18)/t10-,11+/m0/s1
InChIKeyJLUHMHRNBNBWTR-WDEREUQCSA-N
XLogP0.37
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dimethyl-N-[1-(tetrahydro-2-furanyl)ethyl]-4-isoxazolecarboxamide
CID 2970406
N,3,5-Trimethylisoxazole-4-carboxamide
CID 5149864
3,5-dimethyl-N-[3-(2-oxo-1-pyrrolidinyl)propyl]-4-isoxazolecarboxamide
CID 2225560
(3,5-Dimethyl-4-isoxazolyl)(1-pyrrolidinyl)methanone
CID 2798231
N-(3-methoxypropyl)-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 45796442
3-methyl-5-propan-2-yl-N-(3-propan-2-yloxypropyl)-1,2-oxazole-4-carboxamide
CID 45796489
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-pyrrolidin-1-ylbutyl)acetamide
CID 45887235
3,5-dimethyl-N-(2-morpholin-4-ylethyl)-1,2-oxazole-4-carboxamide
CID 47110196
3-methyl-5-propan-2-yl-N-(3-pyrrolidin-1-ylpropyl)-1,2-oxazole-4-carboxamide
CID 53515935
N-[2-(dimethylamino)propyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 53518714
N-(2-cyclohexylethyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 39258382
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,3-dimethylbutanamide
CID 47861683

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-4-(methoxymethyl)-N-methylpyrrolidine-3-carboxamide?
The IUPAC name of (3S,4S)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-4-(methoxymethyl)-N-methylpyrrolidine-3-carboxamide (CID 110203524) is (3S,4S)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-4-(methoxymethyl)-N-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4S)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-4-(methoxymethyl)-N-methylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4S)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-4-(methoxymethyl)-N-methylpyrrolidine-3-carboxamide is CNC(=O)[C@@H]1CN(C(=O)c2c(C)noc2C)C[C@H]1COC.
What is the InChIKey of (3S,4S)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-4-(methoxymethyl)-N-methylpyrrolidine-3-carboxamide?
The InChIKey is JLUHMHRNBNBWTR-WDEREUQCSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-8-12(9(2)21-16-8)14(19)17-5-10(7-20-4)11(6-17)13(18)15-3/h10-11H,5-7H2,1-4H3,(H,15,18)/t10-,11+/m0/s1.
What are the key properties of (3S,4S)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-4-(methoxymethyl)-N-methylpyrrolidine-3-carboxamide?
(3S,4S)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-4-(methoxymethyl)-N-methylpyrrolidine-3-carboxamide has a molecular weight of 295.34 g/mol, XLogP of 0.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-4-(methoxymethyl)-N-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 110203524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).