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

C21H23N5O2 — CID 126794471

IUPAC4-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-phenyl-1,3-oxazole-5-carboxamide
SMILESCc1nc(-c2ccccc2)oc1C(=O)Nc1ccc(N2CCN(C)CC2)cn1
InChIInChI=1S/C21H23N5O2/c1-15-19(28-21(23-15)16-6-4-3-5-7-16)20(27)24-18-9-8-17(14-22-18)26-12-10-25(2)11-13-26/h3-9,14H,10-13H2,1-2H3,(H,22,24,27)
InChIKeyRNIXKFALAFSJHJ-UHFFFAOYSA-N
MW377.45 g/mol
LogP3.05
Rot. Bonds4

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

4-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-phenyl-1,3-oxazole-5-carboxamide (PubChem CID 126794471) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 4-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-phenyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-phenyl-1,3-oxazole-5-carboxamide
PubChem CID126794471
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name4-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-phenyl-1,3-oxazole-5-carboxamide
SMILESCc1nc(-c2ccccc2)oc1C(=O)Nc1ccc(N2CCN(C)CC2)cn1
InChIInChI=1S/C21H23N5O2/c1-15-19(28-21(23-15)16-6-4-3-5-7-16)20(27)24-18-9-8-17(14-22-18)26-12-10-25(2)11-13-26/h3-9,14H,10-13H2,1-2H3,(H,22,24,27)
InChIKeyRNIXKFALAFSJHJ-UHFFFAOYSA-N
XLogP3.05
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-phenyl-1,3-oxazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-phenyl-1,3-oxazole-5-carboxamide (CID 126794471) is 4-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-phenyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-phenyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-phenyl-1,3-oxazole-5-carboxamide is Cc1nc(-c2ccccc2)oc1C(=O)Nc1ccc(N2CCN(C)CC2)cn1.
What is the InChIKey of 4-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-phenyl-1,3-oxazole-5-carboxamide?
The InChIKey is RNIXKFALAFSJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-15-19(28-21(23-15)16-6-4-3-5-7-16)20(27)24-18-9-8-17(14-22-18)26-12-10-25(2)11-13-26/h3-9,14H,10-13H2,1-2H3,(H,22,24,27).
What are the key properties of 4-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-phenyl-1,3-oxazole-5-carboxamide?
4-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-phenyl-1,3-oxazole-5-carboxamide has a molecular weight of 377.45 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-phenyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 126794471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).