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

C20H25N3O3S — CID 53168365

IUPAC1-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-2-thiophen-2-ylethanone
SMILESCc1oc(C2CCN(C(=O)Cc3cccs3)CC2)nc1C(=O)N1CCCC1
InChIInChI=1S/C20H25N3O3S/c1-14-18(20(25)23-8-2-3-9-23)21-19(26-14)15-6-10-22(11-7-15)17(24)13-16-5-4-12-27-16/h4-5,12,15H,2-3,6-11,13H2,1H3
InChIKeyNWGGJYJHWIDNGL-UHFFFAOYSA-N
MW387.51 g/mol
LogP3.23
Rot. Bonds4

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

1-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-2-thiophen-2-ylethanone (PubChem CID 53168365) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is 1-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-2-thiophen-2-ylethanone
PubChem CID53168365
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC Name1-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-2-thiophen-2-ylethanone
SMILESCc1oc(C2CCN(C(=O)Cc3cccs3)CC2)nc1C(=O)N1CCCC1
InChIInChI=1S/C20H25N3O3S/c1-14-18(20(25)23-8-2-3-9-23)21-19(26-14)15-6-10-22(11-7-15)17(24)13-16-5-4-12-27-16/h4-5,12,15H,2-3,6-11,13H2,1H3
InChIKeyNWGGJYJHWIDNGL-UHFFFAOYSA-N
XLogP3.23
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-2-thiophen-2-ylethanone?
The IUPAC name of 1-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-2-thiophen-2-ylethanone (CID 53168365) is 1-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-2-thiophen-2-ylethanone?
The canonical SMILES for 1-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-2-thiophen-2-ylethanone is Cc1oc(C2CCN(C(=O)Cc3cccs3)CC2)nc1C(=O)N1CCCC1.
What is the InChIKey of 1-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-2-thiophen-2-ylethanone?
The InChIKey is NWGGJYJHWIDNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-14-18(20(25)23-8-2-3-9-23)21-19(26-14)15-6-10-22(11-7-15)17(24)13-16-5-4-12-27-16/h4-5,12,15H,2-3,6-11,13H2,1H3.
What are the key properties of 1-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-2-thiophen-2-ylethanone?
1-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-2-thiophen-2-ylethanone has a molecular weight of 387.51 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-2-thiophen-2-ylethanone is sourced from PubChem (CID 53168365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).