2-[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-N-[[(3R)-oxolan-3-yl]methyl]acetamide

C15H23N3O3 — CID 98857976

IUPAC2-[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-N-[[(3R)-oxolan-3-yl]methyl]acetamide
SMILESCc1cc([C@@H]2CCCN2CC(=O)NC[C@H]2CCOC2)on1
InChIInChI=1S/C15H23N3O3/c1-11-7-14(21-17-11)13-3-2-5-18(13)9-15(19)16-8-12-4-6-20-10-12/h7,12-13H,2-6,8-10H2,1H3,(H,16,19)/t12-,13+/m1/s1
InChIKeyJGXRIWCDWYIRFD-OLZOCXBDSA-N
MW293.37 g/mol
LogP1.27
Rot. Bonds5

About 2-[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-N-[[(3R)-oxolan-3-yl]methyl]acetamide

2-[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-N-[[(3R)-oxolan-3-yl]methyl]acetamide (PubChem CID 98857976) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-N-[[(3R)-oxolan-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-N-[[(3R)-oxolan-3-yl]methyl]acetamide
PubChem CID98857976
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name2-[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-N-[[(3R)-oxolan-3-yl]methyl]acetamide
SMILESCc1cc([C@@H]2CCCN2CC(=O)NC[C@H]2CCOC2)on1
InChIInChI=1S/C15H23N3O3/c1-11-7-14(21-17-11)13-3-2-5-18(13)9-15(19)16-8-12-4-6-20-10-12/h7,12-13H,2-6,8-10H2,1H3,(H,16,19)/t12-,13+/m1/s1
InChIKeyJGXRIWCDWYIRFD-OLZOCXBDSA-N
XLogP1.27
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-1-morpholin-4-ylethanone
CID 94415366
N-[2-(2-methoxyphenyl)ethyl]-2-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]acetamide
CID 75461502
1-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone
CID 100837014
1-[2-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]acetyl]piperidine-4-carboxamide
CID 47053801
2-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-N,N-bis(prop-2-enyl)acetamide
CID 94415432
2-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-N-[[(3S)-oxolan-3-yl]methyl]acetamide
CID 97004492
2-(cyclopropylmethylamino)-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone
CID 54873423
2-[(2S)-2-benzylpiperidin-1-yl]-N-[[(3R)-oxolan-3-yl]methyl]acetamide
CID 98756657
4-[[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]benzamide
CID 94026641
2-(methylamino)-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone
CID 60963154
2-[[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]phenol
CID 53009621
2-cyclopentyl-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone
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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-N-[[(3R)-oxolan-3-yl]methyl]acetamide?
The IUPAC name of 2-[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-N-[[(3R)-oxolan-3-yl]methyl]acetamide (CID 98857976) is 2-[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-N-[[(3R)-oxolan-3-yl]methyl]acetamide.
What is the SMILES notation for 2-[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-N-[[(3R)-oxolan-3-yl]methyl]acetamide?
The canonical SMILES for 2-[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-N-[[(3R)-oxolan-3-yl]methyl]acetamide is Cc1cc([C@@H]2CCCN2CC(=O)NC[C@H]2CCOC2)on1.
What is the InChIKey of 2-[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-N-[[(3R)-oxolan-3-yl]methyl]acetamide?
The InChIKey is JGXRIWCDWYIRFD-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-11-7-14(21-17-11)13-3-2-5-18(13)9-15(19)16-8-12-4-6-20-10-12/h7,12-13H,2-6,8-10H2,1H3,(H,16,19)/t12-,13+/m1/s1.
What are the key properties of 2-[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-N-[[(3R)-oxolan-3-yl]methyl]acetamide?
2-[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-N-[[(3R)-oxolan-3-yl]methyl]acetamide has a molecular weight of 293.37 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-N-[[(3R)-oxolan-3-yl]methyl]acetamide is sourced from PubChem (CID 98857976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).