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

C13H20N4O — CID 79145010

IUPACN-[[5-(2,5-dimethylpyrazol-3-yl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCc1cc(-c2ocnc2CNC(C)(C)C)n(C)n1
InChIInChI=1S/C13H20N4O/c1-9-6-11(17(5)16-9)12-10(14-8-18-12)7-15-13(2,3)4/h6,8,15H,7H2,1-5H3
InChIKeyOSWCNKVPPVUYJA-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.27
Rot. Bonds3

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

N-[[5-(2,5-dimethylpyrazol-3-yl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine (PubChem CID 79145010) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is N-[[5-(2,5-dimethylpyrazol-3-yl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[5-(2,5-dimethylpyrazol-3-yl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine
PubChem CID79145010
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC NameN-[[5-(2,5-dimethylpyrazol-3-yl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCc1cc(-c2ocnc2CNC(C)(C)C)n(C)n1
InChIInChI=1S/C13H20N4O/c1-9-6-11(17(5)16-9)12-10(14-8-18-12)7-15-13(2,3)4/h6,8,15H,7H2,1-5H3
InChIKeyOSWCNKVPPVUYJA-UHFFFAOYSA-N
XLogP2.27
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-(4-fluorophenyl)-1,3-oxazole-4-carboxamide
CID 16676001
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-(4-fluorophenyl)-1,3-oxazole-4-carboxamide
CID 46959425
5-(1,5-Dimethylpyrazol-3-yl)-1,3-oxazole
CID 139378905
2-ethanimidoyl-6-(4-methyl-1,3-oxazol-5-yl)-4-N-[(1-methylpyrazol-4-yl)methyl]-3-N-propan-2-ylpyridine-3,4-diamine
CID 142604697
Methyl 5-(2,5-dimethylpyrazol-3-yl)-1,3-oxazole-4-carboxylate
CID 156360255
5-(2-Cyclopropylpyrazol-3-yl)-4-methyl-1,3-oxazole
CID 156370227
5-(1,5-Dimethylpyrazol-3-yl)-1,3-oxazole-4-carbaldehyde
CID 156373943
N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(2-morpholin-4-ium-4-ylethyl)-5-phenyl-1,3-oxazole-4-carboxamide
CID 8060682
N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-[(3S)-2-oxoazepan-3-yl]-5-phenyl-1,3-oxazole-4-carboxamide
CID 8076139
N-[[5-(2-methylpyrazol-3-yl)-1,3-oxazol-2-yl]methyl]ethanamine
CID 65179215
2-methyl-N-[[5-(2-methylpyrazol-3-yl)-1,3-oxazol-2-yl]methyl]propan-1-amine
CID 65181306
N-ethyl-1-[5-(2-methylpyrazol-3-yl)-1,3-oxazol-2-yl]ethanamine
CID 65181444

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,5-dimethylpyrazol-3-yl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[5-(2,5-dimethylpyrazol-3-yl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine (CID 79145010) is N-[[5-(2,5-dimethylpyrazol-3-yl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[5-(2,5-dimethylpyrazol-3-yl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[5-(2,5-dimethylpyrazol-3-yl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine is Cc1cc(-c2ocnc2CNC(C)(C)C)n(C)n1.
What is the InChIKey of N-[[5-(2,5-dimethylpyrazol-3-yl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is OSWCNKVPPVUYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-9-6-11(17(5)16-9)12-10(14-8-18-12)7-15-13(2,3)4/h6,8,15H,7H2,1-5H3.
What are the key properties of N-[[5-(2,5-dimethylpyrazol-3-yl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine?
N-[[5-(2,5-dimethylpyrazol-3-yl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 248.33 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,5-dimethylpyrazol-3-yl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 79145010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).