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

C19H21N5O2S — CID 71716928

IUPACN-(4,5-dimethyl-1,2-oxazol-3-yl)-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
SMILESCc1onc(NC(=O)N2CCN(c3nc(-c4ccccc4)cs3)CC2)c1C
InChIInChI=1S/C19H21N5O2S/c1-13-14(2)26-22-17(13)21-18(25)23-8-10-24(11-9-23)19-20-16(12-27-19)15-6-4-3-5-7-15/h3-7,12H,8-11H2,1-2H3,(H,21,22,25)
InChIKeyQGGOQXPZBBGUDM-UHFFFAOYSA-N
MW383.48 g/mol
LogP3.77
Rot. Bonds3

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

N-(4,5-dimethyl-1,2-oxazol-3-yl)-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carboxamide (PubChem CID 71716928) has the molecular formula C19H21N5O2S and a molecular weight of 383.48 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,2-oxazol-3-yl)-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,2-oxazol-3-yl)-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
PubChem CID71716928
Molecular FormulaC19H21N5O2S
Molecular Weight383.48 g/mol
Exact Mass383.14
IUPAC NameN-(4,5-dimethyl-1,2-oxazol-3-yl)-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
SMILESCc1onc(NC(=O)N2CCN(c3nc(-c4ccccc4)cs3)CC2)c1C
InChIInChI=1S/C19H21N5O2S/c1-13-14(2)26-22-17(13)21-18(25)23-8-10-24(11-9-23)19-20-16(12-27-19)15-6-4-3-5-7-15/h3-7,12H,8-11H2,1-2H3,(H,21,22,25)
InChIKeyQGGOQXPZBBGUDM-UHFFFAOYSA-N
XLogP3.77
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.48
LogP ≤ 53.77
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-phenyl-1,3-thiazol-2-yl)piperazine-1-carboxamide?
The IUPAC name of N-(4,5-dimethyl-1,2-oxazol-3-yl)-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carboxamide (CID 71716928) is N-(4,5-dimethyl-1,2-oxazol-3-yl)-4-(4-phenyl-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-phenyl-1,3-thiazol-2-yl)piperazine-1-carboxamide?
The canonical SMILES for N-(4,5-dimethyl-1,2-oxazol-3-yl)-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carboxamide is Cc1onc(NC(=O)N2CCN(c3nc(-c4ccccc4)cs3)CC2)c1C.
What is the InChIKey of N-(4,5-dimethyl-1,2-oxazol-3-yl)-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carboxamide?
The InChIKey is QGGOQXPZBBGUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2S/c1-13-14(2)26-22-17(13)21-18(25)23-8-10-24(11-9-23)19-20-16(12-27-19)15-6-4-3-5-7-15/h3-7,12H,8-11H2,1-2H3,(H,21,22,25).
What are the key properties of N-(4,5-dimethyl-1,2-oxazol-3-yl)-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carboxamide?
N-(4,5-dimethyl-1,2-oxazol-3-yl)-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carboxamide has a molecular weight of 383.48 g/mol, XLogP of 3.77, 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-phenyl-1,3-thiazol-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 71716928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).