[4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone

C21H27N3O3S — CID 71837742

IUPAC[4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
SMILESCc1ccc(C(=O)N2CCC(c3nc(C(=O)N4CCCCC4)c(C)o3)CC2)s1
InChIInChI=1S/C21H27N3O3S/c1-14-6-7-17(28-14)20(25)24-12-8-16(9-13-24)19-22-18(15(2)27-19)21(26)23-10-4-3-5-11-23/h6-7,16H,3-5,8-13H2,1-2H3
InChIKeyIKYZDBWXHCWUGO-UHFFFAOYSA-N
MW401.53 g/mol
LogP4.00
Rot. Bonds3

About [4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone

[4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone (PubChem CID 71837742) has the molecular formula C21H27N3O3S and a molecular weight of 401.53 g/mol. Its IUPAC name is [4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
PubChem CID71837742
Molecular FormulaC21H27N3O3S
Molecular Weight401.53 g/mol
Exact Mass401.18
IUPAC Name[4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
SMILESCc1ccc(C(=O)N2CCC(c3nc(C(=O)N4CCCCC4)c(C)o3)CC2)s1
InChIInChI=1S/C21H27N3O3S/c1-14-6-7-17(28-14)20(25)24-12-8-16(9-13-24)19-22-18(15(2)27-19)21(26)23-10-4-3-5-11-23/h6-7,16H,3-5,8-13H2,1-2H3
InChIKeyIKYZDBWXHCWUGO-UHFFFAOYSA-N
XLogP4.00
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.53
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone?
The IUPAC name of [4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone (CID 71837742) is [4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone.
What is the SMILES notation for [4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone?
The canonical SMILES for [4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone is Cc1ccc(C(=O)N2CCC(c3nc(C(=O)N4CCCCC4)c(C)o3)CC2)s1.
What is the InChIKey of [4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone?
The InChIKey is IKYZDBWXHCWUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3S/c1-14-6-7-17(28-14)20(25)24-12-8-16(9-13-24)19-22-18(15(2)27-19)21(26)23-10-4-3-5-11-23/h6-7,16H,3-5,8-13H2,1-2H3.
What are the key properties of [4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone?
[4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone has a molecular weight of 401.53 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone is sourced from PubChem (CID 71837742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).