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

C15H17N5O — CID 50977825

IUPACN-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(3-pyridin-3-yl-1,2-oxazol-5-yl)methanamine
SMILESCc1[nH]cnc1CN(C)Cc1cc(-c2cccnc2)no1
InChIInChI=1S/C15H17N5O/c1-11-15(18-10-17-11)9-20(2)8-13-6-14(19-21-13)12-4-3-5-16-7-12/h3-7,10H,8-9H2,1-2H3,(H,17,18)
InChIKeyLYYQFZFJYXFUAF-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.40
Rot. Bonds5

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

N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(3-pyridin-3-yl-1,2-oxazol-5-yl)methanamine (PubChem CID 50977825) has the molecular formula C15H17N5O and a molecular weight of 283.33 g/mol. Its IUPAC name is N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(3-pyridin-3-yl-1,2-oxazol-5-yl)methanamine.

Molecular Properties

Compound NameN-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(3-pyridin-3-yl-1,2-oxazol-5-yl)methanamine
PubChem CID50977825
Molecular FormulaC15H17N5O
Molecular Weight283.33 g/mol
Exact Mass283.14
IUPAC NameN-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(3-pyridin-3-yl-1,2-oxazol-5-yl)methanamine
SMILESCc1[nH]cnc1CN(C)Cc1cc(-c2cccnc2)no1
InChIInChI=1S/C15H17N5O/c1-11-15(18-10-17-11)9-20(2)8-13-6-14(19-21-13)12-4-3-5-16-7-12/h3-7,10H,8-9H2,1-2H3,(H,17,18)
InChIKeyLYYQFZFJYXFUAF-UHFFFAOYSA-N
XLogP2.40
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(3-pyridin-3-yl-1,2-oxazol-5-yl)methanamine?
The IUPAC name of N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(3-pyridin-3-yl-1,2-oxazol-5-yl)methanamine (CID 50977825) is N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(3-pyridin-3-yl-1,2-oxazol-5-yl)methanamine.
What is the SMILES notation for N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(3-pyridin-3-yl-1,2-oxazol-5-yl)methanamine?
The canonical SMILES for N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(3-pyridin-3-yl-1,2-oxazol-5-yl)methanamine is Cc1[nH]cnc1CN(C)Cc1cc(-c2cccnc2)no1.
What is the InChIKey of N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(3-pyridin-3-yl-1,2-oxazol-5-yl)methanamine?
The InChIKey is LYYQFZFJYXFUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-11-15(18-10-17-11)9-20(2)8-13-6-14(19-21-13)12-4-3-5-16-7-12/h3-7,10H,8-9H2,1-2H3,(H,17,18).
What are the key properties of N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(3-pyridin-3-yl-1,2-oxazol-5-yl)methanamine?
N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(3-pyridin-3-yl-1,2-oxazol-5-yl)methanamine has a molecular weight of 283.33 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(3-pyridin-3-yl-1,2-oxazol-5-yl)methanamine is sourced from PubChem (CID 50977825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).