N-(2-amino-5-phenylphenyl)-2-piperazin-1-yl-1,3-oxazole-5-carboxamide

C20H21N5O2 — CID 134535543

IUPACN-(2-amino-5-phenylphenyl)-2-piperazin-1-yl-1,3-oxazole-5-carboxamide
SMILESNc1ccc(-c2ccccc2)cc1NC(=O)c1cnc(N2CCNCC2)o1
InChIInChI=1S/C20H21N5O2/c21-16-7-6-15(14-4-2-1-3-5-14)12-17(16)24-19(26)18-13-23-20(27-18)25-10-8-22-9-11-25/h1-7,12-13,22H,8-11,21H2,(H,24,26)
InChIKeyKNYYUXNZNQLVQF-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.59
Rot. Bonds4

About N-(2-amino-5-phenylphenyl)-2-piperazin-1-yl-1,3-oxazole-5-carboxamide

N-(2-amino-5-phenylphenyl)-2-piperazin-1-yl-1,3-oxazole-5-carboxamide (PubChem CID 134535543) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-(2-amino-5-phenylphenyl)-2-piperazin-1-yl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-amino-5-phenylphenyl)-2-piperazin-1-yl-1,3-oxazole-5-carboxamide
PubChem CID134535543
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC NameN-(2-amino-5-phenylphenyl)-2-piperazin-1-yl-1,3-oxazole-5-carboxamide
SMILESNc1ccc(-c2ccccc2)cc1NC(=O)c1cnc(N2CCNCC2)o1
InChIInChI=1S/C20H21N5O2/c21-16-7-6-15(14-4-2-1-3-5-14)12-17(16)24-19(26)18-13-23-20(27-18)25-10-8-22-9-11-25/h1-7,12-13,22H,8-11,21H2,(H,24,26)
InChIKeyKNYYUXNZNQLVQF-UHFFFAOYSA-N
XLogP2.59
TPSA96.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-5-pyridin-4-ylphenyl)-2-piperazin-1-yl-1,3-thiazole-5-carboxamide
CID 134535398
N-(2-amino-5-phenylphenyl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 134535517
N-(2-amino-5-thiophen-2-ylphenyl)-6-piperazin-1-ylpyridine-3-carboxamide
CID 134535362
N-(2-amino-5-phenylphenyl)-5,6-dimethoxy-1-benzofuran-2-carboxamide
CID 59737565
N-(2-amino-5-phenylphenyl)-4-[(3S)-3-hydroxypyrrolidin-1-yl]benzamide
CID 59737305
N-(2-amino-5-phenylphenyl)-4-[(3R)-3-aminopyrrolidin-1-yl]benzamide
CID 59737562
N-(2-amino-5-phenylphenyl)-1-benzoylpiperidine-4-carboxamide
CID 59737223
[4-[(2-amino-5-phenylphenyl)carbamoyl]phenyl]methyl-methylcarbamic acid
CID 68778186
[4-[(2-amino-5-phenylphenyl)carbamoyl]phenyl]phosphonic acid
CID 69002653
N-(2-amino-5-phenylphenyl)-1-(2-morpholin-4-ylethyl)indazole-5-carboxamide
CID 90116038
N-(2-amino-5-phenylphenyl)-7-methoxy-5-(morpholin-4-ylmethyl)-1-benzofuran-2-carboxamide
CID 59737462
9-[5-[(2-amino-5-phenylphenyl)carbamoyl]-2-pyridinyl]-2,9-diazaspiro[4.5]decane-2-carboxylic acid
CID 68901246

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-phenylphenyl)-2-piperazin-1-yl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-(2-amino-5-phenylphenyl)-2-piperazin-1-yl-1,3-oxazole-5-carboxamide (CID 134535543) is N-(2-amino-5-phenylphenyl)-2-piperazin-1-yl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-(2-amino-5-phenylphenyl)-2-piperazin-1-yl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-(2-amino-5-phenylphenyl)-2-piperazin-1-yl-1,3-oxazole-5-carboxamide is Nc1ccc(-c2ccccc2)cc1NC(=O)c1cnc(N2CCNCC2)o1.
What is the InChIKey of N-(2-amino-5-phenylphenyl)-2-piperazin-1-yl-1,3-oxazole-5-carboxamide?
The InChIKey is KNYYUXNZNQLVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c21-16-7-6-15(14-4-2-1-3-5-14)12-17(16)24-19(26)18-13-23-20(27-18)25-10-8-22-9-11-25/h1-7,12-13,22H,8-11,21H2,(H,24,26).
What are the key properties of N-(2-amino-5-phenylphenyl)-2-piperazin-1-yl-1,3-oxazole-5-carboxamide?
N-(2-amino-5-phenylphenyl)-2-piperazin-1-yl-1,3-oxazole-5-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 2.59, 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-phenylphenyl)-2-piperazin-1-yl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 134535543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).