2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]acetamide

C15H23N3O3 — CID 122556067

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]acetamide
SMILESCc1noc(C)c1CC(=O)N[C@H]1COC[C@@H]1N1CCCC1
InChIInChI=1S/C15H23N3O3/c1-10-12(11(2)21-17-10)7-15(19)16-13-8-20-9-14(13)18-5-3-4-6-18/h13-14H,3-9H2,1-2H3,(H,16,19)/t13-,14-/m0/s1
InChIKeyPKRAGFLTUQPZFB-KBPBESRZSA-N
MW293.37 g/mol
LogP0.81
Rot. Bonds4

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]acetamide

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]acetamide (PubChem CID 122556067) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]acetamide
PubChem CID122556067
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]acetamide
SMILESCc1noc(C)c1CC(=O)N[C@H]1COC[C@@H]1N1CCCC1
InChIInChI=1S/C15H23N3O3/c1-10-12(11(2)21-17-10)7-15(19)16-13-8-20-9-14(13)18-5-3-4-6-18/h13-14H,3-9H2,1-2H3,(H,16,19)/t13-,14-/m0/s1
InChIKeyPKRAGFLTUQPZFB-KBPBESRZSA-N
XLogP0.81
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]acetamide
CID 118767384
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
CID 135105074
2-(2-methyl-1H-indol-3-yl)-N-(4-piperidin-1-yloxolan-3-yl)acetamide
CID 171359124
2,4-dimethyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-1,3-oxazole-5-carboxamide
CID 122565102
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1S,2R)-2-ethoxycyclopropyl]acetamide
CID 99798346
2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]acetamide
CID 122557865
5-methyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-1,3-oxazole-4-carboxamide
CID 122559298
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3S,4S)-1-ethyl-4-methoxypyrrolidin-3-yl]acetamide
CID 122560707
2-(ethylamino)-4-methyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-1,3-thiazole-5-carboxamide
CID 118794593
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-methylcyclohexyl)acetamide
CID 47161510
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2S)-2-pyrrolidin-1-ylbutyl]acetamide
CID 51658024
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 107845762

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]acetamide?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]acetamide (CID 122556067) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]acetamide is Cc1noc(C)c1CC(=O)N[C@H]1COC[C@@H]1N1CCCC1.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]acetamide?
The InChIKey is PKRAGFLTUQPZFB-KBPBESRZSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-10-12(11(2)21-17-10)7-15(19)16-13-8-20-9-14(13)18-5-3-4-6-18/h13-14H,3-9H2,1-2H3,(H,16,19)/t13-,14-/m0/s1.
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]acetamide?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]acetamide has a molecular weight of 293.37 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]acetamide is sourced from PubChem (CID 122556067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).