N,2,2-trimethyl-N-[[3-(5-methyl-1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine

C13H21N5O — CID 139019236

IUPACN,2,2-trimethyl-N-[[3-(5-methyl-1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine
SMILESCc1cnc(-c2noc(CN(C)CC(C)(C)C)n2)[nH]1
InChIInChI=1S/C13H21N5O/c1-9-6-14-11(15-9)12-16-10(19-17-12)7-18(5)8-13(2,3)4/h6H,7-8H2,1-5H3,(H,14,15)
InChIKeyYCOVEJGZHGRSTC-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.25
Rot. Bonds4

About N,2,2-trimethyl-N-[[3-(5-methyl-1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine

N,2,2-trimethyl-N-[[3-(5-methyl-1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine (PubChem CID 139019236) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is N,2,2-trimethyl-N-[[3-(5-methyl-1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN,2,2-trimethyl-N-[[3-(5-methyl-1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine
PubChem CID139019236
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC NameN,2,2-trimethyl-N-[[3-(5-methyl-1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine
SMILESCc1cnc(-c2noc(CN(C)CC(C)(C)C)n2)[nH]1
InChIInChI=1S/C13H21N5O/c1-9-6-14-11(15-9)12-16-10(19-17-12)7-18(5)8-13(2,3)4/h6H,7-8H2,1-5H3,(H,14,15)
InChIKeyYCOVEJGZHGRSTC-UHFFFAOYSA-N
XLogP2.25
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,2,2-trimethyl-N-[[3-(5-methyl-1,3-thiazol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine
CID 167812405
N,2,2-trimethyl-N-[[3-(2-methyl-1H-benzimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine
CID 146081722
4-[5-[[2,2-dimethylpropyl(methyl)amino]methyl]-1,2,4-oxadiazol-3-yl]-1-methylpyridin-2-one
CID 139019206
1-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-2-methylpropan-2-ol
CID 111336267
N-methyl-1-(2-methyl-1,3-thiazol-5-yl)-N-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]methanamine
CID 55816296
2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]acetic acid
CID 43442635
N-methyl-1-(3-propyl-1H-pyrazol-5-yl)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
CID 135100162
N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-[(2S)-oxolan-2-yl]methanamine
CID 127923306
2-(4-tert-butylphenyl)-5-methyl-1H-imidazole
CID 44512575
1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]urea
CID 121497199
1-[ethyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]-2-methylpropan-2-ol
CID 78963940
1-(2-chlorophenyl)-N-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
CID 26515684

Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-N-[[3-(5-methyl-1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine?
The IUPAC name of N,2,2-trimethyl-N-[[3-(5-methyl-1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine (CID 139019236) is N,2,2-trimethyl-N-[[3-(5-methyl-1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine.
What is the SMILES notation for N,2,2-trimethyl-N-[[3-(5-methyl-1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine?
The canonical SMILES for N,2,2-trimethyl-N-[[3-(5-methyl-1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine is Cc1cnc(-c2noc(CN(C)CC(C)(C)C)n2)[nH]1.
What is the InChIKey of N,2,2-trimethyl-N-[[3-(5-methyl-1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine?
The InChIKey is YCOVEJGZHGRSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-9-6-14-11(15-9)12-16-10(19-17-12)7-18(5)8-13(2,3)4/h6H,7-8H2,1-5H3,(H,14,15).
What are the key properties of N,2,2-trimethyl-N-[[3-(5-methyl-1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine?
N,2,2-trimethyl-N-[[3-(5-methyl-1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine has a molecular weight of 263.34 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-N-[[3-(5-methyl-1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 139019236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).