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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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).