N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-3-phenyl-2,1-benzoxazole-5-carboxamide

C24H23N5O2 — CID 60517332

IUPACN-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-3-phenyl-2,1-benzoxazole-5-carboxamide
SMILESCN1CCN(c2ccc(NC(=O)c3ccc4noc(-c5ccccc5)c4c3)nc2)CC1
InChIInChI=1S/C24H23N5O2/c1-28-11-13-29(14-12-28)19-8-10-22(25-16-19)26-24(30)18-7-9-21-20(15-18)23(31-27-21)17-5-3-2-4-6-17/h2-10,15-16H,11-14H2,1H3,(H,25,26,30)
InChIKeyMZRMZWISJMBEHK-UHFFFAOYSA-N
MW413.48 g/mol
LogP3.89
Rot. Bonds4

About N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-3-phenyl-2,1-benzoxazole-5-carboxamide

N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-3-phenyl-2,1-benzoxazole-5-carboxamide (PubChem CID 60517332) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-3-phenyl-2,1-benzoxazole-5-carboxamide.

Molecular Properties

Compound NameN-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-3-phenyl-2,1-benzoxazole-5-carboxamide
PubChem CID60517332
Molecular FormulaC24H23N5O2
Molecular Weight413.48 g/mol
Exact Mass413.19
IUPAC NameN-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-3-phenyl-2,1-benzoxazole-5-carboxamide
SMILESCN1CCN(c2ccc(NC(=O)c3ccc4noc(-c5ccccc5)c4c3)nc2)CC1
InChIInChI=1S/C24H23N5O2/c1-28-11-13-29(14-12-28)19-8-10-22(25-16-19)26-24(30)18-7-9-21-20(15-18)23(31-27-21)17-5-3-2-4-6-17/h2-10,15-16H,11-14H2,1H3,(H,25,26,30)
InChIKeyMZRMZWISJMBEHK-UHFFFAOYSA-N
XLogP3.89
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methyl-2-pyridinyl)-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 24538064
N-[(3S)-1-methylpiperidin-3-yl]-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 95976740
N-(1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 119101340
N-(4-acetamidophenyl)-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 7465275
3-acetamido-4-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzamide
CID 87019386
N-[5-(4-formylpiperazin-1-yl)-2-pyridinyl]benzamide
CID 113026047
N-[2-(dimethylamino)pyrimidin-5-yl]-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 122298037
N-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 9268843
[4-(4-methoxyphenyl)piperazin-1-yl]-(3-phenyl-2,1-benzoxazol-5-yl)methanone
CID 9265987
3-phenyl-N-[2-(piperidine-1-carbonyl)phenyl]-2,1-benzoxazole-5-carboxamide
CID 35277011
[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]-(3-phenyl-2,1-benzoxazol-5-yl)methanone
CID 55653019
N-(3-methylphenyl)-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 7465233

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-3-phenyl-2,1-benzoxazole-5-carboxamide?
The IUPAC name of N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-3-phenyl-2,1-benzoxazole-5-carboxamide (CID 60517332) is N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-3-phenyl-2,1-benzoxazole-5-carboxamide.
What is the SMILES notation for N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-3-phenyl-2,1-benzoxazole-5-carboxamide?
The canonical SMILES for N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-3-phenyl-2,1-benzoxazole-5-carboxamide is CN1CCN(c2ccc(NC(=O)c3ccc4noc(-c5ccccc5)c4c3)nc2)CC1.
What is the InChIKey of N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-3-phenyl-2,1-benzoxazole-5-carboxamide?
The InChIKey is MZRMZWISJMBEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2/c1-28-11-13-29(14-12-28)19-8-10-22(25-16-19)26-24(30)18-7-9-21-20(15-18)23(31-27-21)17-5-3-2-4-6-17/h2-10,15-16H,11-14H2,1H3,(H,25,26,30).
What are the key properties of N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-3-phenyl-2,1-benzoxazole-5-carboxamide?
N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-3-phenyl-2,1-benzoxazole-5-carboxamide has a molecular weight of 413.48 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-3-phenyl-2,1-benzoxazole-5-carboxamide is sourced from PubChem (CID 60517332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).