2-methyl-N-[2-[2-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide

C19H26N4O3S — CID 71841740

IUPAC2-methyl-N-[2-[2-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide
SMILESCc1cc(C(=O)N2CCCC(c3nc(CCNC(=O)C(C)C)cs3)C2)no1
InChIInChI=1S/C19H26N4O3S/c1-12(2)17(24)20-7-6-15-11-27-18(21-15)14-5-4-8-23(10-14)19(25)16-9-13(3)26-22-16/h9,11-12,14H,4-8,10H2,1-3H3,(H,20,24)
InChIKeyRQWWALOEYVYODN-UHFFFAOYSA-N
MW390.51 g/mol
LogP2.77
Rot. Bonds6

About 2-methyl-N-[2-[2-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide

2-methyl-N-[2-[2-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide (PubChem CID 71841740) has the molecular formula C19H26N4O3S and a molecular weight of 390.51 g/mol. Its IUPAC name is 2-methyl-N-[2-[2-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[2-[2-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide
PubChem CID71841740
Molecular FormulaC19H26N4O3S
Molecular Weight390.51 g/mol
Exact Mass390.17
IUPAC Name2-methyl-N-[2-[2-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide
SMILESCc1cc(C(=O)N2CCCC(c3nc(CCNC(=O)C(C)C)cs3)C2)no1
InChIInChI=1S/C19H26N4O3S/c1-12(2)17(24)20-7-6-15-11-27-18(21-15)14-5-4-8-23(10-14)19(25)16-9-13(3)26-22-16/h9,11-12,14H,4-8,10H2,1-3H3,(H,20,24)
InChIKeyRQWWALOEYVYODN-UHFFFAOYSA-N
XLogP2.77
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[2-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide?
The IUPAC name of 2-methyl-N-[2-[2-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide (CID 71841740) is 2-methyl-N-[2-[2-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide.
What is the SMILES notation for 2-methyl-N-[2-[2-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide?
The canonical SMILES for 2-methyl-N-[2-[2-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide is Cc1cc(C(=O)N2CCCC(c3nc(CCNC(=O)C(C)C)cs3)C2)no1.
What is the InChIKey of 2-methyl-N-[2-[2-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide?
The InChIKey is RQWWALOEYVYODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3S/c1-12(2)17(24)20-7-6-15-11-27-18(21-15)14-5-4-8-23(10-14)19(25)16-9-13(3)26-22-16/h9,11-12,14H,4-8,10H2,1-3H3,(H,20,24).
What are the key properties of 2-methyl-N-[2-[2-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide?
2-methyl-N-[2-[2-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide has a molecular weight of 390.51 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[2-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide is sourced from PubChem (CID 71841740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).