2-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-N,N-bis(prop-2-enyl)acetamide

C16H23N3O2 — CID 94415432

IUPAC2-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)CN1CCC[C@@H]1c1cc(C)no1
InChIInChI=1S/C16H23N3O2/c1-4-8-18(9-5-2)16(20)12-19-10-6-7-14(19)15-11-13(3)17-21-15/h4-5,11,14H,1-2,6-10,12H2,3H3/t14-/m1/s1
InChIKeyQLQWUQSRVHWFCV-CQSZACIVSA-N
MW289.38 g/mol
LogP2.32
Rot. Bonds7

About 2-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-N,N-bis(prop-2-enyl)acetamide

2-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-N,N-bis(prop-2-enyl)acetamide (PubChem CID 94415432) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-N,N-bis(prop-2-enyl)acetamide.

Molecular Properties

Compound Name2-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-N,N-bis(prop-2-enyl)acetamide
PubChem CID94415432
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name2-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)CN1CCC[C@@H]1c1cc(C)no1
InChIInChI=1S/C16H23N3O2/c1-4-8-18(9-5-2)16(20)12-19-10-6-7-14(19)15-11-13(3)17-21-15/h4-5,11,14H,1-2,6-10,12H2,3H3/t14-/m1/s1
InChIKeyQLQWUQSRVHWFCV-CQSZACIVSA-N
XLogP2.32
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[(2R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N,N-bis(prop-2-enyl)acetamide
CID 95136659
N-methyl-2-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 94453500
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
2-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-1-morpholin-4-ylethanone
CID 94415366
1-[2-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]acetyl]piperidine-4-carboxamide
CID 47053801
4-[[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]benzamide
CID 94026641
cyclohexyl-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 53017114
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
CID 53017109
2-[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-N-[[(3R)-oxolan-3-yl]methyl]acetamide
CID 98857976
5-[(2S)-1-benzylpyrrolidin-2-yl]-3-methyl-1,2-oxazole
CID 66854958
3-methyl-5-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole
CID 118788668

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-N,N-bis(prop-2-enyl)acetamide?
The IUPAC name of 2-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-N,N-bis(prop-2-enyl)acetamide (CID 94415432) is 2-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-N,N-bis(prop-2-enyl)acetamide.
What is the SMILES notation for 2-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-N,N-bis(prop-2-enyl)acetamide?
The canonical SMILES for 2-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-N,N-bis(prop-2-enyl)acetamide is C=CCN(CC=C)C(=O)CN1CCC[C@@H]1c1cc(C)no1.
What is the InChIKey of 2-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-N,N-bis(prop-2-enyl)acetamide?
The InChIKey is QLQWUQSRVHWFCV-CQSZACIVSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-4-8-18(9-5-2)16(20)12-19-10-6-7-14(19)15-11-13(3)17-21-15/h4-5,11,14H,1-2,6-10,12H2,3H3/t14-/m1/s1.
What are the key properties of 2-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-N,N-bis(prop-2-enyl)acetamide?
2-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-N,N-bis(prop-2-enyl)acetamide has a molecular weight of 289.38 g/mol, XLogP of 2.32, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-N,N-bis(prop-2-enyl)acetamide is sourced from PubChem (CID 94415432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).