N-[2-amino-5-(4-fluorophenyl)phenyl]-2-piperazin-1-yl-1,3-oxazole-5-carboxamide

C20H20FN5O2 — CID 134535514

IUPACN-[2-amino-5-(4-fluorophenyl)phenyl]-2-piperazin-1-yl-1,3-oxazole-5-carboxamide
SMILESNc1ccc(-c2ccc(F)cc2)cc1NC(=O)c1cnc(N2CCNCC2)o1
InChIInChI=1S/C20H20FN5O2/c21-15-4-1-13(2-5-15)14-3-6-16(22)17(11-14)25-19(27)18-12-24-20(28-18)26-9-7-23-8-10-26/h1-6,11-12,23H,7-10,22H2,(H,25,27)
InChIKeyZSTZCNVEBKQMSJ-UHFFFAOYSA-N
MW381.41 g/mol
LogP2.72
Rot. Bonds4

About N-[2-amino-5-(4-fluorophenyl)phenyl]-2-piperazin-1-yl-1,3-oxazole-5-carboxamide

N-[2-amino-5-(4-fluorophenyl)phenyl]-2-piperazin-1-yl-1,3-oxazole-5-carboxamide (PubChem CID 134535514) has the molecular formula C20H20FN5O2 and a molecular weight of 381.41 g/mol. Its IUPAC name is N-[2-amino-5-(4-fluorophenyl)phenyl]-2-piperazin-1-yl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-amino-5-(4-fluorophenyl)phenyl]-2-piperazin-1-yl-1,3-oxazole-5-carboxamide
PubChem CID134535514
Molecular FormulaC20H20FN5O2
Molecular Weight381.41 g/mol
Exact Mass381.16
IUPAC NameN-[2-amino-5-(4-fluorophenyl)phenyl]-2-piperazin-1-yl-1,3-oxazole-5-carboxamide
SMILESNc1ccc(-c2ccc(F)cc2)cc1NC(=O)c1cnc(N2CCNCC2)o1
InChIInChI=1S/C20H20FN5O2/c21-15-4-1-13(2-5-15)14-3-6-16(22)17(11-14)25-19(27)18-12-24-20(28-18)26-9-7-23-8-10-26/h1-6,11-12,23H,7-10,22H2,(H,25,27)
InChIKeyZSTZCNVEBKQMSJ-UHFFFAOYSA-N
XLogP2.72
TPSA96.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-amino-5-(4-fluorophenyl)phenyl]-2-piperazin-1-yl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[2-amino-5-(4-fluorophenyl)phenyl]-2-piperazin-1-yl-1,3-oxazole-5-carboxamide (CID 134535514) is N-[2-amino-5-(4-fluorophenyl)phenyl]-2-piperazin-1-yl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[2-amino-5-(4-fluorophenyl)phenyl]-2-piperazin-1-yl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[2-amino-5-(4-fluorophenyl)phenyl]-2-piperazin-1-yl-1,3-oxazole-5-carboxamide is Nc1ccc(-c2ccc(F)cc2)cc1NC(=O)c1cnc(N2CCNCC2)o1.
What is the InChIKey of N-[2-amino-5-(4-fluorophenyl)phenyl]-2-piperazin-1-yl-1,3-oxazole-5-carboxamide?
The InChIKey is ZSTZCNVEBKQMSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O2/c21-15-4-1-13(2-5-15)14-3-6-16(22)17(11-14)25-19(27)18-12-24-20(28-18)26-9-7-23-8-10-26/h1-6,11-12,23H,7-10,22H2,(H,25,27).
What are the key properties of N-[2-amino-5-(4-fluorophenyl)phenyl]-2-piperazin-1-yl-1,3-oxazole-5-carboxamide?
N-[2-amino-5-(4-fluorophenyl)phenyl]-2-piperazin-1-yl-1,3-oxazole-5-carboxamide has a molecular weight of 381.41 g/mol, XLogP of 2.72, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-5-(4-fluorophenyl)phenyl]-2-piperazin-1-yl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 134535514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).