3-imidazol-1-yl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(pyridin-4-ylmethyl)propan-1-amine

C17H21N5O — CID 77094846

IUPAC3-imidazol-1-yl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(pyridin-4-ylmethyl)propan-1-amine
SMILESCc1cc(CN(CCCn2ccnc2)Cc2ccncc2)on1
InChIInChI=1S/C17H21N5O/c1-15-11-17(23-20-15)13-22(12-16-3-5-18-6-4-16)9-2-8-21-10-7-19-14-21/h3-7,10-11,14H,2,8-9,12-13H2,1H3
InChIKeyTVPBLEUAEGJEGE-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.67
Rot. Bonds8

About 3-imidazol-1-yl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(pyridin-4-ylmethyl)propan-1-amine

3-imidazol-1-yl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(pyridin-4-ylmethyl)propan-1-amine (PubChem CID 77094846) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is 3-imidazol-1-yl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(pyridin-4-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-imidazol-1-yl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(pyridin-4-ylmethyl)propan-1-amine
PubChem CID77094846
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Name3-imidazol-1-yl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(pyridin-4-ylmethyl)propan-1-amine
SMILESCc1cc(CN(CCCn2ccnc2)Cc2ccncc2)on1
InChIInChI=1S/C17H21N5O/c1-15-11-17(23-20-15)13-22(12-16-3-5-18-6-4-16)9-2-8-21-10-7-19-14-21/h3-7,10-11,14H,2,8-9,12-13H2,1H3
InChIKeyTVPBLEUAEGJEGE-UHFFFAOYSA-N
XLogP2.67
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-imidazol-1-yl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(pyridin-4-ylmethyl)propan-1-amine with MolForge

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Related Compounds

3-imidazol-1-yl-N-[(3-methylthiophen-2-yl)methyl]-N-(pyridin-4-ylmethyl)propan-1-amine
CID 46986157
N-(furan-3-ylmethyl)-3-imidazol-1-yl-N-(pyridin-3-ylmethyl)propan-1-amine
CID 46998655
[benzyl(3-imidazol-1-ylpropyl)amino]methanol;prop-1-yne
CID 142002586
3-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]-N-(quinolin-6-ylmethyl)propan-1-amine
CID 46962088
5-ethyl-N-(3-imidazol-1-ylpropyl)-N-(pyridin-4-ylmethyl)-1H-pyrazole-3-carboxamide
CID 74234527
4-chloro-N-(3-imidazol-1-ylpropyl)-1-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide
CID 74250549
3-(chloromethyl)-7,8-dimethylchromen-4-one;4-(5-imidazol-1-ylpentyl)pyridine;3-[[3-imidazol-1-ylpropyl(pyridin-4-ylmethyl)amino]methyl]-7,8-dimethylchromen-4-one
CID 167653369
7-bromo-3-[[3-imidazol-1-ylpropyl(pyridin-4-ylmethyl)amino]methyl]chromen-4-one;3-[[3-imidazol-1-ylpropyl(pyridin-4-ylmethyl)amino]methyl]-7-isocyanochromen-4-one
CID 167616119
N-(3-imidazol-1-ylpropyl)-N-(pyridin-4-ylmethyl)isoquinoline-1-carboxamide
CID 46982202
3-imidazol-1-yl-N-(naphthalen-1-ylmethyl)-N-(naphthalen-2-ylmethyl)propan-1-amine
CID 22744894
N-(3-imidazol-1-ylpropyl)-N-(pyridin-4-ylmethyl)-2H-triazole-4-carboxamide
CID 56918772
N-(3-imidazol-1-ylpropyl)-N,4-dimethylpyrimidin-2-amine
CID 133376553

Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(pyridin-4-ylmethyl)propan-1-amine?
The IUPAC name of 3-imidazol-1-yl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(pyridin-4-ylmethyl)propan-1-amine (CID 77094846) is 3-imidazol-1-yl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(pyridin-4-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-imidazol-1-yl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(pyridin-4-ylmethyl)propan-1-amine?
The canonical SMILES for 3-imidazol-1-yl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(pyridin-4-ylmethyl)propan-1-amine is Cc1cc(CN(CCCn2ccnc2)Cc2ccncc2)on1.
What is the InChIKey of 3-imidazol-1-yl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(pyridin-4-ylmethyl)propan-1-amine?
The InChIKey is TVPBLEUAEGJEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c1-15-11-17(23-20-15)13-22(12-16-3-5-18-6-4-16)9-2-8-21-10-7-19-14-21/h3-7,10-11,14H,2,8-9,12-13H2,1H3.
What are the key properties of 3-imidazol-1-yl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(pyridin-4-ylmethyl)propan-1-amine?
3-imidazol-1-yl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(pyridin-4-ylmethyl)propan-1-amine has a molecular weight of 311.39 g/mol, XLogP of 2.67, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(pyridin-4-ylmethyl)propan-1-amine is sourced from PubChem (CID 77094846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).