N-methyl-N-[[2-(4-methylsulfonylphenyl)-1,3-oxazol-4-yl]methyl]-1-pyrimidin-2-ylpiperidin-4-amine

C21H25N5O3S — CID 75434950

IUPACN-methyl-N-[[2-(4-methylsulfonylphenyl)-1,3-oxazol-4-yl]methyl]-1-pyrimidin-2-ylpiperidin-4-amine
SMILESCN(Cc1coc(-c2ccc(S(C)(=O)=O)cc2)n1)C1CCN(c2ncccn2)CC1
InChIInChI=1S/C21H25N5O3S/c1-25(18-8-12-26(13-9-18)21-22-10-3-11-23-21)14-17-15-29-20(24-17)16-4-6-19(7-5-16)30(2,27)28/h3-7,10-11,15,18H,8-9,12-14H2,1-2H3
InChIKeyPQZLVIGBIBGBDI-UHFFFAOYSA-N
MW427.53 g/mol
LogP2.64
Rot. Bonds6

About N-methyl-N-[[2-(4-methylsulfonylphenyl)-1,3-oxazol-4-yl]methyl]-1-pyrimidin-2-ylpiperidin-4-amine

N-methyl-N-[[2-(4-methylsulfonylphenyl)-1,3-oxazol-4-yl]methyl]-1-pyrimidin-2-ylpiperidin-4-amine (PubChem CID 75434950) has the molecular formula C21H25N5O3S and a molecular weight of 427.53 g/mol. Its IUPAC name is N-methyl-N-[[2-(4-methylsulfonylphenyl)-1,3-oxazol-4-yl]methyl]-1-pyrimidin-2-ylpiperidin-4-amine.

Molecular Properties

Compound NameN-methyl-N-[[2-(4-methylsulfonylphenyl)-1,3-oxazol-4-yl]methyl]-1-pyrimidin-2-ylpiperidin-4-amine
PubChem CID75434950
Molecular FormulaC21H25N5O3S
Molecular Weight427.53 g/mol
Exact Mass427.17
IUPAC NameN-methyl-N-[[2-(4-methylsulfonylphenyl)-1,3-oxazol-4-yl]methyl]-1-pyrimidin-2-ylpiperidin-4-amine
SMILESCN(Cc1coc(-c2ccc(S(C)(=O)=O)cc2)n1)C1CCN(c2ncccn2)CC1
InChIInChI=1S/C21H25N5O3S/c1-25(18-8-12-26(13-9-18)21-22-10-3-11-23-21)14-17-15-29-20(24-17)16-4-6-19(7-5-16)30(2,27)28/h3-7,10-11,15,18H,8-9,12-14H2,1-2H3
InChIKeyPQZLVIGBIBGBDI-UHFFFAOYSA-N
XLogP2.64
TPSA92.43 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N-methyl-N-[[2-(4-methylsulfonylphenyl)-1,3-oxazol-4-yl]methyl]-1-pyrimidin-2-ylpiperidin-4-amine with MolForge

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Related Compounds

2-[[2-(4-Ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 3620389
2-[[5-Methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 4187315
3-[1-({5-Methyl-2-[4-(methylthio)phenyl]-1,3-oxazol-4-yl}methyl)piperidin-2-yl]pyridine
CID 16190308
ethyl (R)-2-(4-(4-(4-carbamoylthiazol-2-yl)-3-(methylsulfonyl)phenyl)-2-isopropylpiperazin-1-yl)-4-(trifluoromethyl)pyrimidine-5-carboxylate
CID 137554464
(R)-(2-(2-isopropyl-4-(4-(4-methyloxazol-2-yl)-3-(methylsulfonyl)phenyl)piperazin-1-yl)-4-(trifluoromethyl)pyrimidin-5-yl)methanol
CID 137554478
(R)-2-(4-(4-(5-(hydroxymethyl)-4-(trifluoromethyl)pyrimidin-2-yl)-3-isopropylpiperazin-1-yl)-2-(methylsulfonyl)phenyl)thiazole-4-carboxamide
CID 137554482
2-(4-Fluorophenyl)-4-propyl-5-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yloxymethyl]-1,3-oxazole
CID 46232072
2-(4-{[5-Methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl}-1-piperazinyl)pyrimidine
CID 25370203
2-(3-Fluorophenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole
CID 34180165
4-[(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-phenyl-1,3-oxazole
CID 47053585
2-(2-Chlorophenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole
CID 48392490
2-(4-Bromophenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole
CID 48437174

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[2-(4-methylsulfonylphenyl)-1,3-oxazol-4-yl]methyl]-1-pyrimidin-2-ylpiperidin-4-amine?
The IUPAC name of N-methyl-N-[[2-(4-methylsulfonylphenyl)-1,3-oxazol-4-yl]methyl]-1-pyrimidin-2-ylpiperidin-4-amine (CID 75434950) is N-methyl-N-[[2-(4-methylsulfonylphenyl)-1,3-oxazol-4-yl]methyl]-1-pyrimidin-2-ylpiperidin-4-amine.
What is the SMILES notation for N-methyl-N-[[2-(4-methylsulfonylphenyl)-1,3-oxazol-4-yl]methyl]-1-pyrimidin-2-ylpiperidin-4-amine?
The canonical SMILES for N-methyl-N-[[2-(4-methylsulfonylphenyl)-1,3-oxazol-4-yl]methyl]-1-pyrimidin-2-ylpiperidin-4-amine is CN(Cc1coc(-c2ccc(S(C)(=O)=O)cc2)n1)C1CCN(c2ncccn2)CC1.
What is the InChIKey of N-methyl-N-[[2-(4-methylsulfonylphenyl)-1,3-oxazol-4-yl]methyl]-1-pyrimidin-2-ylpiperidin-4-amine?
The InChIKey is PQZLVIGBIBGBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3S/c1-25(18-8-12-26(13-9-18)21-22-10-3-11-23-21)14-17-15-29-20(24-17)16-4-6-19(7-5-16)30(2,27)28/h3-7,10-11,15,18H,8-9,12-14H2,1-2H3.
What are the key properties of N-methyl-N-[[2-(4-methylsulfonylphenyl)-1,3-oxazol-4-yl]methyl]-1-pyrimidin-2-ylpiperidin-4-amine?
N-methyl-N-[[2-(4-methylsulfonylphenyl)-1,3-oxazol-4-yl]methyl]-1-pyrimidin-2-ylpiperidin-4-amine has a molecular weight of 427.53 g/mol, XLogP of 2.64, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[2-(4-methylsulfonylphenyl)-1,3-oxazol-4-yl]methyl]-1-pyrimidin-2-ylpiperidin-4-amine is sourced from PubChem (CID 75434950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).