N-[2-ethyl-5-[(6-methylpyrimidin-4-yl)amino]phenyl]-1,3-benzoxazole-5-carboxamide

C21H19N5O2 — CID 108811736

IUPACN-[2-ethyl-5-[(6-methylpyrimidin-4-yl)amino]phenyl]-1,3-benzoxazole-5-carboxamide
SMILESCCc1ccc(Nc2cc(C)ncn2)cc1NC(=O)c1ccc2ocnc2c1
InChIInChI=1S/C21H19N5O2/c1-3-14-4-6-16(25-20-8-13(2)22-11-23-20)10-17(14)26-21(27)15-5-7-19-18(9-15)24-12-28-19/h4-12H,3H2,1-2H3,(H,26,27)(H,22,23,25)
InChIKeyOBIVAMCGJZCFMV-UHFFFAOYSA-N
MW373.42 g/mol
LogP4.48
Rot. Bonds5

About N-[2-ethyl-5-[(6-methylpyrimidin-4-yl)amino]phenyl]-1,3-benzoxazole-5-carboxamide

N-[2-ethyl-5-[(6-methylpyrimidin-4-yl)amino]phenyl]-1,3-benzoxazole-5-carboxamide (PubChem CID 108811736) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is N-[2-ethyl-5-[(6-methylpyrimidin-4-yl)amino]phenyl]-1,3-benzoxazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-ethyl-5-[(6-methylpyrimidin-4-yl)amino]phenyl]-1,3-benzoxazole-5-carboxamide
PubChem CID108811736
Molecular FormulaC21H19N5O2
Molecular Weight373.42 g/mol
Exact Mass373.15
IUPAC NameN-[2-ethyl-5-[(6-methylpyrimidin-4-yl)amino]phenyl]-1,3-benzoxazole-5-carboxamide
SMILESCCc1ccc(Nc2cc(C)ncn2)cc1NC(=O)c1ccc2ocnc2c1
InChIInChI=1S/C21H19N5O2/c1-3-14-4-6-16(25-20-8-13(2)22-11-23-20)10-17(14)26-21(27)15-5-7-19-18(9-15)24-12-28-19/h4-12H,3H2,1-2H3,(H,26,27)(H,22,23,25)
InChIKeyOBIVAMCGJZCFMV-UHFFFAOYSA-N
XLogP4.48
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-[2-ethyl-5-[(6-methylpyrimidin-4-yl)amino]phenyl]benzamide
CID 108771194
N-[2-ethyl-5-[(6-methylpyrimidin-4-yl)amino]phenyl]-4-nitrobenzamide
CID 108771190
4-butoxy-3-ethoxy-N-[2-ethyl-5-[(6-methylpyrimidin-4-yl)amino]phenyl]benzamide
CID 108771306
5-bromo-N-[2-ethyl-5-[(6-methylpyrimidin-4-yl)amino]phenyl]furan-2-carboxamide
CID 108771216
2-butan-2-yl-N-[2-ethyl-5-[(6-methylpyrimidin-4-yl)amino]phenyl]-1,3-dioxoisoindole-5-carboxamide
CID 108771228
N-[2-ethyl-5-[(6-methylpyrimidin-4-yl)amino]phenyl]-2,6-dimethoxybenzamide
CID 108771191
methyl 2-[[2-ethyl-5-[(6-methylpyrimidin-4-yl)amino]phenyl]carbamoyl]benzoate
CID 108749414
N-[2-ethyl-5-[(6-methylpyrimidin-4-yl)amino]phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 108749311
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[2-ethyl-5-[(6-methylpyrimidin-4-yl)amino]phenyl]acetamide
CID 108811616
N-[2-ethyl-5-[(6-methylpyrimidin-4-yl)amino]phenyl]-2-phenoxyacetamide
CID 108749320
(E)-3-(4-tert-butylphenyl)-N-[2-ethyl-5-[(6-methylpyrimidin-4-yl)amino]phenyl]prop-2-enamide
CID 108771243
N-[2-ethyl-5-[(6-methylpyrimidin-4-yl)amino]phenyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 108810493

Frequently Asked Questions

What is the IUPAC name of N-[2-ethyl-5-[(6-methylpyrimidin-4-yl)amino]phenyl]-1,3-benzoxazole-5-carboxamide?
The IUPAC name of N-[2-ethyl-5-[(6-methylpyrimidin-4-yl)amino]phenyl]-1,3-benzoxazole-5-carboxamide (CID 108811736) is N-[2-ethyl-5-[(6-methylpyrimidin-4-yl)amino]phenyl]-1,3-benzoxazole-5-carboxamide.
What is the SMILES notation for N-[2-ethyl-5-[(6-methylpyrimidin-4-yl)amino]phenyl]-1,3-benzoxazole-5-carboxamide?
The canonical SMILES for N-[2-ethyl-5-[(6-methylpyrimidin-4-yl)amino]phenyl]-1,3-benzoxazole-5-carboxamide is CCc1ccc(Nc2cc(C)ncn2)cc1NC(=O)c1ccc2ocnc2c1.
What is the InChIKey of N-[2-ethyl-5-[(6-methylpyrimidin-4-yl)amino]phenyl]-1,3-benzoxazole-5-carboxamide?
The InChIKey is OBIVAMCGJZCFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2/c1-3-14-4-6-16(25-20-8-13(2)22-11-23-20)10-17(14)26-21(27)15-5-7-19-18(9-15)24-12-28-19/h4-12H,3H2,1-2H3,(H,26,27)(H,22,23,25).
What are the key properties of N-[2-ethyl-5-[(6-methylpyrimidin-4-yl)amino]phenyl]-1,3-benzoxazole-5-carboxamide?
N-[2-ethyl-5-[(6-methylpyrimidin-4-yl)amino]phenyl]-1,3-benzoxazole-5-carboxamide has a molecular weight of 373.42 g/mol, XLogP of 4.48, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethyl-5-[(6-methylpyrimidin-4-yl)amino]phenyl]-1,3-benzoxazole-5-carboxamide is sourced from PubChem (CID 108811736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).