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

C20H25N3O4S — CID 71837692

IUPAC[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
SMILESCc1ccc(C(=O)N2CCC(c3nc(C(=O)N4CCOCC4)c(C)o3)CC2)s1
InChIInChI=1S/C20H25N3O4S/c1-13-3-4-16(28-13)19(24)22-7-5-15(6-8-22)18-21-17(14(2)27-18)20(25)23-9-11-26-12-10-23/h3-4,15H,5-12H2,1-2H3
InChIKeySOCAEQTWZUVSIU-UHFFFAOYSA-N
MW403.50 g/mol
LogP2.85
Rot. Bonds3

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

[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone (PubChem CID 71837692) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is [4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
PubChem CID71837692
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC Name[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
SMILESCc1ccc(C(=O)N2CCC(c3nc(C(=O)N4CCOCC4)c(C)o3)CC2)s1
InChIInChI=1S/C20H25N3O4S/c1-13-3-4-16(28-13)19(24)22-7-5-15(6-8-22)18-21-17(14(2)27-18)20(25)23-9-11-26-12-10-23/h3-4,15H,5-12H2,1-2H3
InChIKeySOCAEQTWZUVSIU-UHFFFAOYSA-N
XLogP2.85
TPSA75.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone?
The IUPAC name of [4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone (CID 71837692) is [4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone.
What is the SMILES notation for [4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone?
The canonical SMILES for [4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone is Cc1ccc(C(=O)N2CCC(c3nc(C(=O)N4CCOCC4)c(C)o3)CC2)s1.
What is the InChIKey of [4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone?
The InChIKey is SOCAEQTWZUVSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-13-3-4-16(28-13)19(24)22-7-5-15(6-8-22)18-21-17(14(2)27-18)20(25)23-9-11-26-12-10-23/h3-4,15H,5-12H2,1-2H3.
What are the key properties of [4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone?
[4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone has a molecular weight of 403.50 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone is sourced from PubChem (CID 71837692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).