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

C19H24N4O3S — CID 71841694

IUPACN-[2-[2-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide
SMILESCc1cc(C(=O)N2CCCC(c3nc(CCNC(=O)C4CC4)cs3)C2)no1
InChIInChI=1S/C19H24N4O3S/c1-12-9-16(22-26-12)19(25)23-8-2-3-14(10-23)18-21-15(11-27-18)6-7-20-17(24)13-4-5-13/h9,11,13-14H,2-8,10H2,1H3,(H,20,24)
InChIKeySHYOHZKFQXVCIW-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.53
Rot. Bonds6

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

N-[2-[2-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide (PubChem CID 71841694) has the molecular formula C19H24N4O3S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-[2-[2-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[2-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide
PubChem CID71841694
Molecular FormulaC19H24N4O3S
Molecular Weight388.49 g/mol
Exact Mass388.16
IUPAC NameN-[2-[2-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide
SMILESCc1cc(C(=O)N2CCCC(c3nc(CCNC(=O)C4CC4)cs3)C2)no1
InChIInChI=1S/C19H24N4O3S/c1-12-9-16(22-26-12)19(25)23-8-2-3-14(10-23)18-21-15(11-27-18)6-7-20-17(24)13-4-5-13/h9,11,13-14H,2-8,10H2,1H3,(H,20,24)
InChIKeySHYOHZKFQXVCIW-UHFFFAOYSA-N
XLogP2.53
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[2-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide (CID 71841694) is N-[2-[2-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[2-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[2-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide is Cc1cc(C(=O)N2CCCC(c3nc(CCNC(=O)C4CC4)cs3)C2)no1.
What is the InChIKey of N-[2-[2-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide?
The InChIKey is SHYOHZKFQXVCIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3S/c1-12-9-16(22-26-12)19(25)23-8-2-3-14(10-23)18-21-15(11-27-18)6-7-20-17(24)13-4-5-13/h9,11,13-14H,2-8,10H2,1H3,(H,20,24).
What are the key properties of N-[2-[2-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide?
N-[2-[2-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide has a molecular weight of 388.49 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 71841694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).