N-(1,2-benzoxazol-3-yl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperazine-1-carboxamide

C20H18N6O3 — CID 68778486

IUPACN-(1,2-benzoxazol-3-yl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperazine-1-carboxamide
SMILESO=C(Nc1noc2ccccc12)N1CCN(c2nc(-c3ccccc3)no2)CC1
InChIInChI=1S/C20H18N6O3/c27-19(21-18-15-8-4-5-9-16(15)28-24-18)25-10-12-26(13-11-25)20-22-17(23-29-20)14-6-2-1-3-7-14/h1-9H,10-13H2,(H,21,24,27)
InChIKeyMXWFJJNAIUCOCF-UHFFFAOYSA-N
MW390.40 g/mol
LogP3.23
Rot. Bonds3

About N-(1,2-benzoxazol-3-yl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperazine-1-carboxamide

N-(1,2-benzoxazol-3-yl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperazine-1-carboxamide (PubChem CID 68778486) has the molecular formula C20H18N6O3 and a molecular weight of 390.40 g/mol. Its IUPAC name is N-(1,2-benzoxazol-3-yl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(1,2-benzoxazol-3-yl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperazine-1-carboxamide
PubChem CID68778486
Molecular FormulaC20H18N6O3
Molecular Weight390.40 g/mol
Exact Mass390.14
IUPAC NameN-(1,2-benzoxazol-3-yl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperazine-1-carboxamide
SMILESO=C(Nc1noc2ccccc12)N1CCN(c2nc(-c3ccccc3)no2)CC1
InChIInChI=1S/C20H18N6O3/c27-19(21-18-15-8-4-5-9-16(15)28-24-18)25-10-12-26(13-11-25)20-22-17(23-29-20)14-6-2-1-3-7-14/h1-9H,10-13H2,(H,21,24,27)
InChIKeyMXWFJJNAIUCOCF-UHFFFAOYSA-N
XLogP3.23
TPSA100.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1,2-benzoxazol-3-yl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperazine-1-carboxamide?
The IUPAC name of N-(1,2-benzoxazol-3-yl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperazine-1-carboxamide (CID 68778486) is N-(1,2-benzoxazol-3-yl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-(1,2-benzoxazol-3-yl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperazine-1-carboxamide?
The canonical SMILES for N-(1,2-benzoxazol-3-yl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperazine-1-carboxamide is O=C(Nc1noc2ccccc12)N1CCN(c2nc(-c3ccccc3)no2)CC1.
What is the InChIKey of N-(1,2-benzoxazol-3-yl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperazine-1-carboxamide?
The InChIKey is MXWFJJNAIUCOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O3/c27-19(21-18-15-8-4-5-9-16(15)28-24-18)25-10-12-26(13-11-25)20-22-17(23-29-20)14-6-2-1-3-7-14/h1-9H,10-13H2,(H,21,24,27).
What are the key properties of N-(1,2-benzoxazol-3-yl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperazine-1-carboxamide?
N-(1,2-benzoxazol-3-yl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperazine-1-carboxamide has a molecular weight of 390.40 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-benzoxazol-3-yl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperazine-1-carboxamide is sourced from PubChem (CID 68778486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).