1-[2-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]acetyl]piperidine-4-carboxamide

C16H24N4O3 — CID 47053801

IUPAC1-[2-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]acetyl]piperidine-4-carboxamide
SMILESCc1cc(C2CCCN2CC(=O)N2CCC(C(N)=O)CC2)on1
InChIInChI=1S/C16H24N4O3/c1-11-9-14(23-18-11)13-3-2-6-20(13)10-15(21)19-7-4-12(5-8-19)16(17)22/h9,12-13H,2-8,10H2,1H3,(H2,17,22)
InChIKeyLHAJLXDLIWXEGX-UHFFFAOYSA-N
MW320.39 g/mol
LogP0.84
Rot. Bonds4

About 1-[2-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]acetyl]piperidine-4-carboxamide

1-[2-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]acetyl]piperidine-4-carboxamide (PubChem CID 47053801) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is 1-[2-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]acetyl]piperidine-4-carboxamide
PubChem CID47053801
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name1-[2-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]acetyl]piperidine-4-carboxamide
SMILESCc1cc(C2CCCN2CC(=O)N2CCC(C(N)=O)CC2)on1
InChIInChI=1S/C16H24N4O3/c1-11-9-14(23-18-11)13-3-2-6-20(13)10-15(21)19-7-4-12(5-8-19)16(17)22/h9,12-13H,2-8,10H2,1H3,(H2,17,22)
InChIKeyLHAJLXDLIWXEGX-UHFFFAOYSA-N
XLogP0.84
TPSA92.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.84
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
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
4-[[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]benzamide
CID 94026641
2-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-N,N-bis(prop-2-enyl)acetamide
CID 94415432
1-[2-[2-(4-bromophenyl)pyrrolidin-1-yl]acetyl]piperidine-4-carboxamide
CID 55829549
ethyl 4-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-4-oxobutanoate
CID 60976035
cyclohexyl-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 53017114
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
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

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]acetyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]acetyl]piperidine-4-carboxamide (CID 47053801) is 1-[2-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]acetyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]acetyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]acetyl]piperidine-4-carboxamide is Cc1cc(C2CCCN2CC(=O)N2CCC(C(N)=O)CC2)on1.
What is the InChIKey of 1-[2-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]acetyl]piperidine-4-carboxamide?
The InChIKey is LHAJLXDLIWXEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-11-9-14(23-18-11)13-3-2-6-20(13)10-15(21)19-7-4-12(5-8-19)16(17)22/h9,12-13H,2-8,10H2,1H3,(H2,17,22).
What are the key properties of 1-[2-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]acetyl]piperidine-4-carboxamide?
1-[2-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]acetyl]piperidine-4-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 47053801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).