N-[[5-(2,5-dimethylphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine

C16H22N2O — CID 79146041

IUPACN-[[5-(2,5-dimethylphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCc1ccc(C)c(-c2ocnc2CNC(C)(C)C)c1
InChIInChI=1S/C16H22N2O/c1-11-6-7-12(2)13(8-11)15-14(17-10-19-15)9-18-16(3,4)5/h6-8,10,18H,9H2,1-5H3
InChIKeyNGVOLLSBECKPCB-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.85
Rot. Bonds3

About N-[[5-(2,5-dimethylphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine

N-[[5-(2,5-dimethylphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine (PubChem CID 79146041) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is N-[[5-(2,5-dimethylphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[5-(2,5-dimethylphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine
PubChem CID79146041
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC NameN-[[5-(2,5-dimethylphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCc1ccc(C)c(-c2ocnc2CNC(C)(C)C)c1
InChIInChI=1S/C16H22N2O/c1-11-6-7-12(2)13(8-11)15-14(17-10-19-15)9-18-16(3,4)5/h6-8,10,18H,9H2,1-5H3
InChIKeyNGVOLLSBECKPCB-UHFFFAOYSA-N
XLogP3.85
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4r)-1-(3,3-Dimethylbutanoyl)-4-Hydroxy-N-[4-(4-Methyl-1,3-Oxazol-5-Yl)benzyl]-L-Prolinamide
CID 77232224
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(4-methyl-1,3-oxazol-5-yl)aniline
CID 22493269
1-[[2-(3,4-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propyl]piperidine-4-carboxamide
CID 71300337
1-[[2-(2,4-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propyl]piperidine-4-carboxamide
CID 71656053
1-[[2-(2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propyl]piperidine-4-carboxamide
CID 71656057
US11608337, Example 23
CID 132085757
1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-N-[2-(4-methylphenyl)ethyl]piperidine-4-carboxamide
CID 16007936
2-[(2R)-4-[(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)methyl]morpholin-2-yl]ethanamine
CID 95198280
4-{[5-(4-Methylphenyl)-1,3-oxazol-4-yl]carbonyl}morpholine
CID 20963512
Oxazole, 4,5-diphenyl-2-((ethylamino)methyl)-, monohydrochloride
CID 214401
Oxazole, 4,5-diphenyl-2-((propylamino)methyl)-, monohydrochloride
CID 214405
Oxazole, 2-((butylamino)methyl)-4,5-diphenyl-, monohydrochloride
CID 214409

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,5-dimethylphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[5-(2,5-dimethylphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine (CID 79146041) is N-[[5-(2,5-dimethylphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[5-(2,5-dimethylphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[5-(2,5-dimethylphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine is Cc1ccc(C)c(-c2ocnc2CNC(C)(C)C)c1.
What is the InChIKey of N-[[5-(2,5-dimethylphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is NGVOLLSBECKPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-11-6-7-12(2)13(8-11)15-14(17-10-19-15)9-18-16(3,4)5/h6-8,10,18H,9H2,1-5H3.
What are the key properties of N-[[5-(2,5-dimethylphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine?
N-[[5-(2,5-dimethylphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 258.36 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,5-dimethylphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 79146041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).