3-(2-methylpyrimidin-4-yl)-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]aniline

C17H19N5O — CID 47063790

IUPAC3-(2-methylpyrimidin-4-yl)-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]aniline
SMILESCc1nccc(-c2cccc(NCc3nc(C(C)C)no3)c2)n1
InChIInChI=1S/C17H19N5O/c1-11(2)17-21-16(23-22-17)10-19-14-6-4-5-13(9-14)15-7-8-18-12(3)20-15/h4-9,11,19H,10H2,1-3H3
InChIKeyNPCZKXUVYYELCI-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.57
Rot. Bonds5

About 3-(2-methylpyrimidin-4-yl)-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]aniline

3-(2-methylpyrimidin-4-yl)-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]aniline (PubChem CID 47063790) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 3-(2-methylpyrimidin-4-yl)-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]aniline.

Molecular Properties

Compound Name3-(2-methylpyrimidin-4-yl)-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]aniline
PubChem CID47063790
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name3-(2-methylpyrimidin-4-yl)-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]aniline
SMILESCc1nccc(-c2cccc(NCc3nc(C(C)C)no3)c2)n1
InChIInChI=1S/C17H19N5O/c1-11(2)17-21-16(23-22-17)10-19-14-6-4-5-13(9-14)15-7-8-18-12(3)20-15/h4-9,11,19H,10H2,1-3H3
InChIKeyNPCZKXUVYYELCI-UHFFFAOYSA-N
XLogP3.57
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-Methyl-3-[3-(2-methylpyrimidin-4-yl)phenyl]urea
CID 2819605
N-[4-[[[2-(methylamino)-6-pyridin-2-ylpyrimidin-4-yl]amino]methyl]phenyl]acetamide
CID 118716418
2-(2-{1-[(3-Benzyl-1,2,4-oxadiazol-5-yl)methyl]-2-piperidinyl}ethyl)pyridine
CID 16189946
N-(3-methylphenyl)-2-[4-(pyrimidin-2-yl)piperazin-1-yl]acetamide
CID 6466372
(R)-3-(1-(3-fluoro-5-(3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl)pyridin-2-yl)ethyl)-1-hydroxy-1-methylurea
CID 46230836
N-benzyl-3-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methylamino]benzamide
CID 137645302
N-[3-[6-[[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]amino]pyrimidin-4-yl]phenyl]prop-2-enamide
CID 162644025
N-[3-[6-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]prop-2-enamide
CID 162668677
5-tert-butyl-N-[[2-methyl-4-[5-[3-[[methyl(prop-2-enoyl)amino]methyl]pyrrolidin-1-yl]pyrimidin-4-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide
CID 168293317
2-ethyl-N-(3-(imidazo[1,2-a]pyrimidin-2-yl)phenyl)butanamide
CID 7080150
(4-Fluorobenzyl)methyl[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]amine
CID 16187786
1-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(5-ethylpyridin-2-yl)methyl]-N-methylmethanamine
CID 16188589

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpyrimidin-4-yl)-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]aniline?
The IUPAC name of 3-(2-methylpyrimidin-4-yl)-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]aniline (CID 47063790) is 3-(2-methylpyrimidin-4-yl)-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]aniline.
What is the SMILES notation for 3-(2-methylpyrimidin-4-yl)-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]aniline?
The canonical SMILES for 3-(2-methylpyrimidin-4-yl)-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]aniline is Cc1nccc(-c2cccc(NCc3nc(C(C)C)no3)c2)n1.
What is the InChIKey of 3-(2-methylpyrimidin-4-yl)-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]aniline?
The InChIKey is NPCZKXUVYYELCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-11(2)17-21-16(23-22-17)10-19-14-6-4-5-13(9-14)15-7-8-18-12(3)20-15/h4-9,11,19H,10H2,1-3H3.
What are the key properties of 3-(2-methylpyrimidin-4-yl)-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]aniline?
3-(2-methylpyrimidin-4-yl)-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]aniline has a molecular weight of 309.37 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpyrimidin-4-yl)-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]aniline is sourced from PubChem (CID 47063790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).