2-cyclopentyl-1-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]ethanone

C21H31N3O3 — CID 71837810

IUPAC2-cyclopentyl-1-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]ethanone
SMILESCc1oc(C2CCN(C(=O)CC3CCCC3)CC2)nc1C(=O)N1CCCC1
InChIInChI=1S/C21H31N3O3/c1-15-19(21(26)24-10-4-5-11-24)22-20(27-15)17-8-12-23(13-9-17)18(25)14-16-6-2-3-7-16/h16-17H,2-14H2,1H3
InChIKeyWYRZYAGJQUYFGD-UHFFFAOYSA-N
MW373.50 g/mol
LogP3.51
Rot. Bonds4

About 2-cyclopentyl-1-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]ethanone

2-cyclopentyl-1-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]ethanone (PubChem CID 71837810) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is 2-cyclopentyl-1-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclopentyl-1-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]ethanone
PubChem CID71837810
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC Name2-cyclopentyl-1-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]ethanone
SMILESCc1oc(C2CCN(C(=O)CC3CCCC3)CC2)nc1C(=O)N1CCCC1
InChIInChI=1S/C21H31N3O3/c1-15-19(21(26)24-10-4-5-11-24)22-20(27-15)17-8-12-23(13-9-17)18(25)14-16-6-2-3-7-16/h16-17H,2-14H2,1H3
InChIKeyWYRZYAGJQUYFGD-UHFFFAOYSA-N
XLogP3.51
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-cyclopentyl-1-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]ethanone (CID 71837810) is 2-cyclopentyl-1-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-cyclopentyl-1-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-cyclopentyl-1-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]ethanone is Cc1oc(C2CCN(C(=O)CC3CCCC3)CC2)nc1C(=O)N1CCCC1.
What is the InChIKey of 2-cyclopentyl-1-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]ethanone?
The InChIKey is WYRZYAGJQUYFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3/c1-15-19(21(26)24-10-4-5-11-24)22-20(27-15)17-8-12-23(13-9-17)18(25)14-16-6-2-3-7-16/h16-17H,2-14H2,1H3.
What are the key properties of 2-cyclopentyl-1-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]ethanone?
2-cyclopentyl-1-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]ethanone has a molecular weight of 373.50 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 71837810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).