N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-5-piperidin-4-yl-1,3-oxazole-4-carboxamide

C19H19FN4O2S — CID 154787332

IUPACN-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-5-piperidin-4-yl-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1ncc(Cc2ccccc2F)s1)c1ncoc1C1CCNCC1
InChIInChI=1S/C19H19FN4O2S/c20-15-4-2-1-3-13(15)9-14-10-22-19(27-14)24-18(25)16-17(26-11-23-16)12-5-7-21-8-6-12/h1-4,10-12,21H,5-9H2,(H,22,24,25)
InChIKeyQCLQNKFQDCDTHD-UHFFFAOYSA-N
MW386.45 g/mol
LogP3.58
Rot. Bonds5

About N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-5-piperidin-4-yl-1,3-oxazole-4-carboxamide

N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-5-piperidin-4-yl-1,3-oxazole-4-carboxamide (PubChem CID 154787332) has the molecular formula C19H19FN4O2S and a molecular weight of 386.45 g/mol. Its IUPAC name is N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-5-piperidin-4-yl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-5-piperidin-4-yl-1,3-oxazole-4-carboxamide
PubChem CID154787332
Molecular FormulaC19H19FN4O2S
Molecular Weight386.45 g/mol
Exact Mass386.12
IUPAC NameN-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-5-piperidin-4-yl-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1ncc(Cc2ccccc2F)s1)c1ncoc1C1CCNCC1
InChIInChI=1S/C19H19FN4O2S/c20-15-4-2-1-3-13(15)9-14-10-22-19(27-14)24-18(25)16-17(26-11-23-16)12-5-7-21-8-6-12/h1-4,10-12,21H,5-9H2,(H,22,24,25)
InChIKeyQCLQNKFQDCDTHD-UHFFFAOYSA-N
XLogP3.58
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-5-piperidin-4-yl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-5-piperidin-4-yl-1,3-oxazole-4-carboxamide (CID 154787332) is N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-5-piperidin-4-yl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-5-piperidin-4-yl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-5-piperidin-4-yl-1,3-oxazole-4-carboxamide is O=C(Nc1ncc(Cc2ccccc2F)s1)c1ncoc1C1CCNCC1.
What is the InChIKey of N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-5-piperidin-4-yl-1,3-oxazole-4-carboxamide?
The InChIKey is QCLQNKFQDCDTHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O2S/c20-15-4-2-1-3-13(15)9-14-10-22-19(27-14)24-18(25)16-17(26-11-23-16)12-5-7-21-8-6-12/h1-4,10-12,21H,5-9H2,(H,22,24,25).
What are the key properties of N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-5-piperidin-4-yl-1,3-oxazole-4-carboxamide?
N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-5-piperidin-4-yl-1,3-oxazole-4-carboxamide has a molecular weight of 386.45 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-5-piperidin-4-yl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 154787332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).