N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine

C11H15ClN4O — CID 104579645

IUPACN-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine
SMILESCc1cnc(C(C)NCc2ncc(Cl)n2C)o1
InChIInChI=1S/C11H15ClN4O/c1-7-4-15-11(17-7)8(2)13-6-10-14-5-9(12)16(10)3/h4-5,8,13H,6H2,1-3H3
InChIKeyYZKFJQAYAVHKDG-UHFFFAOYSA-N
MW254.72 g/mol
LogP2.22
Rot. Bonds4

About N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine

N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine (PubChem CID 104579645) has the molecular formula C11H15ClN4O and a molecular weight of 254.72 g/mol. Its IUPAC name is N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine
PubChem CID104579645
Molecular FormulaC11H15ClN4O
Molecular Weight254.72 g/mol
Exact Mass254.09
IUPAC NameN-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine
SMILESCc1cnc(C(C)NCc2ncc(Cl)n2C)o1
InChIInChI=1S/C11H15ClN4O/c1-7-4-15-11(17-7)8(2)13-6-10-14-5-9(12)16(10)3/h4-5,8,13H,6H2,1-3H3
InChIKeyYZKFJQAYAVHKDG-UHFFFAOYSA-N
XLogP2.22
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine?
The IUPAC name of N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine (CID 104579645) is N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine.
What is the SMILES notation for N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine?
The canonical SMILES for N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine is Cc1cnc(C(C)NCc2ncc(Cl)n2C)o1.
What is the InChIKey of N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine?
The InChIKey is YZKFJQAYAVHKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4O/c1-7-4-15-11(17-7)8(2)13-6-10-14-5-9(12)16(10)3/h4-5,8,13H,6H2,1-3H3.
What are the key properties of N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine?
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine has a molecular weight of 254.72 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine is sourced from PubChem (CID 104579645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).