2-[(2R)-2-[(3R,4R)-4-hydroxy-4-methyloxan-3-yl]pyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide

C16H25N3O4 — CID 129483798

IUPAC2-[(2R)-2-[(3R,4R)-4-hydroxy-4-methyloxan-3-yl]pyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
SMILESCc1cc(NC(=O)CN2CCC[C@@H]2[C@@H]2COCC[C@@]2(C)O)on1
InChIInChI=1S/C16H25N3O4/c1-11-8-15(23-18-11)17-14(20)9-19-6-3-4-13(19)12-10-22-7-5-16(12,2)21/h8,12-13,21H,3-7,9-10H2,1-2H3,(H,17,20)/t12-,13+,16+/m0/s1
InChIKeyIXTJVDDFWPACAZ-WOSRLPQWSA-N
MW323.39 g/mol
LogP1.17
Rot. Bonds4

About 2-[(2R)-2-[(3R,4R)-4-hydroxy-4-methyloxan-3-yl]pyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide

2-[(2R)-2-[(3R,4R)-4-hydroxy-4-methyloxan-3-yl]pyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide (PubChem CID 129483798) has the molecular formula C16H25N3O4 and a molecular weight of 323.39 g/mol. Its IUPAC name is 2-[(2R)-2-[(3R,4R)-4-hydroxy-4-methyloxan-3-yl]pyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide.

Molecular Properties

Compound Name2-[(2R)-2-[(3R,4R)-4-hydroxy-4-methyloxan-3-yl]pyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
PubChem CID129483798
Molecular FormulaC16H25N3O4
Molecular Weight323.39 g/mol
Exact Mass323.18
IUPAC Name2-[(2R)-2-[(3R,4R)-4-hydroxy-4-methyloxan-3-yl]pyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
SMILESCc1cc(NC(=O)CN2CCC[C@@H]2[C@@H]2COCC[C@@]2(C)O)on1
InChIInChI=1S/C16H25N3O4/c1-11-8-15(23-18-11)17-14(20)9-19-6-3-4-13(19)12-10-22-7-5-16(12,2)21/h8,12-13,21H,3-7,9-10H2,1-2H3,(H,17,20)/t12-,13+,16+/m0/s1
InChIKeyIXTJVDDFWPACAZ-WOSRLPQWSA-N
XLogP1.17
TPSA87.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(2R)-2-[(3R,4R)-4-hydroxy-4-methyloxan-3-yl]pyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide with MolForge

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Related Compounds

N-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylacetamide
CID 3045297
ethyl 1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]piperidine-2-carboxylate
CID 78915718
2-[(2R)-2-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 124730258
N-(3-methyl-1,2-oxazol-5-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide
CID 51088987
2-[3-(methylamino)piperidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide;hydrochloride
CID 119920207
4-ethyl-1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]piperidine-2-carboxylic acid
CID 114430623
2-[(2S)-2-[(4-fluorophenoxy)methyl]pyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 136586050
N-(3-methyl-1,2-oxazol-5-yl)-2-[(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]acetamide
CID 129343428
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(2R)-2-[(3R,4S)-4-hydroxy-4-methyloxan-3-yl]pyrrolidin-1-yl]ethanone
CID 129491606
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
CID 62015902
methyl (3S)-1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]piperidine-3-carboxylate
CID 79037832
(3S)-1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]-N-[(2S)-pentan-2-yl]piperidine-3-carboxamide
CID 94378651

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-[(3R,4R)-4-hydroxy-4-methyloxan-3-yl]pyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide?
The IUPAC name of 2-[(2R)-2-[(3R,4R)-4-hydroxy-4-methyloxan-3-yl]pyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide (CID 129483798) is 2-[(2R)-2-[(3R,4R)-4-hydroxy-4-methyloxan-3-yl]pyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide.
What is the SMILES notation for 2-[(2R)-2-[(3R,4R)-4-hydroxy-4-methyloxan-3-yl]pyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide?
The canonical SMILES for 2-[(2R)-2-[(3R,4R)-4-hydroxy-4-methyloxan-3-yl]pyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide is Cc1cc(NC(=O)CN2CCC[C@@H]2[C@@H]2COCC[C@@]2(C)O)on1.
What is the InChIKey of 2-[(2R)-2-[(3R,4R)-4-hydroxy-4-methyloxan-3-yl]pyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide?
The InChIKey is IXTJVDDFWPACAZ-WOSRLPQWSA-N. The full InChI is InChI=1S/C16H25N3O4/c1-11-8-15(23-18-11)17-14(20)9-19-6-3-4-13(19)12-10-22-7-5-16(12,2)21/h8,12-13,21H,3-7,9-10H2,1-2H3,(H,17,20)/t12-,13+,16+/m0/s1.
What are the key properties of 2-[(2R)-2-[(3R,4R)-4-hydroxy-4-methyloxan-3-yl]pyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide?
2-[(2R)-2-[(3R,4R)-4-hydroxy-4-methyloxan-3-yl]pyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide has a molecular weight of 323.39 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-[(3R,4R)-4-hydroxy-4-methyloxan-3-yl]pyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide is sourced from PubChem (CID 129483798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).