N-(4,5-dimethyl-1,2-oxazol-3-yl)-4-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide

C19H20FN5O2S — CID 71719370

IUPACN-(4,5-dimethyl-1,2-oxazol-3-yl)-4-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide
SMILESCc1onc(NC(=O)N2CCN(c3nc(-c4cccc(F)c4)cs3)CC2)c1C
InChIInChI=1S/C19H20FN5O2S/c1-12-13(2)27-23-17(12)22-18(26)24-6-8-25(9-7-24)19-21-16(11-28-19)14-4-3-5-15(20)10-14/h3-5,10-11H,6-9H2,1-2H3,(H,22,23,26)
InChIKeyRFPROTRWFXNCDW-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.91
Rot. Bonds3

About N-(4,5-dimethyl-1,2-oxazol-3-yl)-4-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide

N-(4,5-dimethyl-1,2-oxazol-3-yl)-4-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide (PubChem CID 71719370) has the molecular formula C19H20FN5O2S and a molecular weight of 401.47 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,2-oxazol-3-yl)-4-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,2-oxazol-3-yl)-4-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide
PubChem CID71719370
Molecular FormulaC19H20FN5O2S
Molecular Weight401.47 g/mol
Exact Mass401.13
IUPAC NameN-(4,5-dimethyl-1,2-oxazol-3-yl)-4-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide
SMILESCc1onc(NC(=O)N2CCN(c3nc(-c4cccc(F)c4)cs3)CC2)c1C
InChIInChI=1S/C19H20FN5O2S/c1-12-13(2)27-23-17(12)22-18(26)24-6-8-25(9-7-24)19-21-16(11-28-19)14-4-3-5-15(20)10-14/h3-5,10-11H,6-9H2,1-2H3,(H,22,23,26)
InChIKeyRFPROTRWFXNCDW-UHFFFAOYSA-N
XLogP3.91
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,2-oxazol-3-yl)-4-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide?
The IUPAC name of N-(4,5-dimethyl-1,2-oxazol-3-yl)-4-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide (CID 71719370) is N-(4,5-dimethyl-1,2-oxazol-3-yl)-4-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide.
What is the SMILES notation for N-(4,5-dimethyl-1,2-oxazol-3-yl)-4-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide?
The canonical SMILES for N-(4,5-dimethyl-1,2-oxazol-3-yl)-4-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide is Cc1onc(NC(=O)N2CCN(c3nc(-c4cccc(F)c4)cs3)CC2)c1C.
What is the InChIKey of N-(4,5-dimethyl-1,2-oxazol-3-yl)-4-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide?
The InChIKey is RFPROTRWFXNCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O2S/c1-12-13(2)27-23-17(12)22-18(26)24-6-8-25(9-7-24)19-21-16(11-28-19)14-4-3-5-15(20)10-14/h3-5,10-11H,6-9H2,1-2H3,(H,22,23,26).
What are the key properties of N-(4,5-dimethyl-1,2-oxazol-3-yl)-4-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide?
N-(4,5-dimethyl-1,2-oxazol-3-yl)-4-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide has a molecular weight of 401.47 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,2-oxazol-3-yl)-4-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide is sourced from PubChem (CID 71719370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).