N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(3-pyridin-4-yl-1,2-oxazol-5-yl)methanamine

C15H17N5O — CID 50975840

IUPACN-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(3-pyridin-4-yl-1,2-oxazol-5-yl)methanamine
SMILESCN(Cc1cc(-c2ccncc2)no1)Cc1nccn1C
InChIInChI=1S/C15H17N5O/c1-19(11-15-17-7-8-20(15)2)10-13-9-14(18-21-13)12-3-5-16-6-4-12/h3-9H,10-11H2,1-2H3
InChIKeyGAZMVCXNVSNHBN-UHFFFAOYSA-N
MW283.34 g/mol
LogP2.10
Rot. Bonds5

About N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(3-pyridin-4-yl-1,2-oxazol-5-yl)methanamine

N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(3-pyridin-4-yl-1,2-oxazol-5-yl)methanamine (PubChem CID 50975840) has the molecular formula C15H17N5O and a molecular weight of 283.34 g/mol. Its IUPAC name is N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(3-pyridin-4-yl-1,2-oxazol-5-yl)methanamine.

Molecular Properties

Compound NameN-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(3-pyridin-4-yl-1,2-oxazol-5-yl)methanamine
PubChem CID50975840
Molecular FormulaC15H17N5O
Molecular Weight283.34 g/mol
Exact Mass283.14
IUPAC NameN-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(3-pyridin-4-yl-1,2-oxazol-5-yl)methanamine
SMILESCN(Cc1cc(-c2ccncc2)no1)Cc1nccn1C
InChIInChI=1S/C15H17N5O/c1-19(11-15-17-7-8-20(15)2)10-13-9-14(18-21-13)12-3-5-16-6-4-12/h3-9H,10-11H2,1-2H3
InChIKeyGAZMVCXNVSNHBN-UHFFFAOYSA-N
XLogP2.10
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(3-pyridin-4-yl-1,2-oxazol-5-yl)methanamine?
The IUPAC name of N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(3-pyridin-4-yl-1,2-oxazol-5-yl)methanamine (CID 50975840) is N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(3-pyridin-4-yl-1,2-oxazol-5-yl)methanamine.
What is the SMILES notation for N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(3-pyridin-4-yl-1,2-oxazol-5-yl)methanamine?
The canonical SMILES for N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(3-pyridin-4-yl-1,2-oxazol-5-yl)methanamine is CN(Cc1cc(-c2ccncc2)no1)Cc1nccn1C.
What is the InChIKey of N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(3-pyridin-4-yl-1,2-oxazol-5-yl)methanamine?
The InChIKey is GAZMVCXNVSNHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-19(11-15-17-7-8-20(15)2)10-13-9-14(18-21-13)12-3-5-16-6-4-12/h3-9H,10-11H2,1-2H3.
What are the key properties of N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(3-pyridin-4-yl-1,2-oxazol-5-yl)methanamine?
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(3-pyridin-4-yl-1,2-oxazol-5-yl)methanamine has a molecular weight of 283.34 g/mol, XLogP of 2.10, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(3-pyridin-4-yl-1,2-oxazol-5-yl)methanamine is sourced from PubChem (CID 50975840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).