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

C13H20N4O — CID 114180159

IUPACN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(3-propylimidazol-4-yl)methanamine
SMILESCCCn1cncc1CNCc1nc(C)c(C)o1
InChIInChI=1S/C13H20N4O/c1-4-5-17-9-15-7-12(17)6-14-8-13-16-10(2)11(3)18-13/h7,9,14H,4-6,8H2,1-3H3
InChIKeyPXBLFRDWIYMTQE-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.19
Rot. Bonds6

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

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(3-propylimidazol-4-yl)methanamine (PubChem CID 114180159) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(3-propylimidazol-4-yl)methanamine.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(3-propylimidazol-4-yl)methanamine
PubChem CID114180159
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(3-propylimidazol-4-yl)methanamine
SMILESCCCn1cncc1CNCc1nc(C)c(C)o1
InChIInChI=1S/C13H20N4O/c1-4-5-17-9-15-7-12(17)6-14-8-13-16-10(2)11(3)18-13/h7,9,14H,4-6,8H2,1-3H3
InChIKeyPXBLFRDWIYMTQE-UHFFFAOYSA-N
XLogP2.19
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(3-methylimidazol-4-yl)methanamine
CID 102673231
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(2,5-dimethylpyrazol-3-yl)methanamine
CID 114180444
1-(4-ethylphenyl)-N-[(3-propylimidazol-4-yl)methyl]methanamine
CID 106899534
1-(5-ethylthiophen-2-yl)-N-[(3-propylimidazol-4-yl)methyl]methanamine
CID 106009505
[4-[[(3-propylimidazol-4-yl)methylamino]methyl]phenyl]methanol
CID 107230142
1-(3-propylimidazol-4-yl)-N-(1,3-thiazol-4-ylmethyl)methanamine
CID 66129392
2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine
CID 114185716
N-[(3-propylimidazol-4-yl)methyl]but-3-yn-1-amine
CID 66130391
N'-ethyl-N'-methyl-N-[(3-propylimidazol-4-yl)methyl]ethane-1,2-diamine
CID 66131979
2-(1-methyl-1,2,4-triazol-3-yl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine
CID 80681547
N-[(3-butylimidazol-4-yl)methyl]ethanamine
CID 66146486
2-methoxy-N-[(3-propylimidazol-4-yl)methyl]propan-1-amine
CID 102696680

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(3-propylimidazol-4-yl)methanamine?
The IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(3-propylimidazol-4-yl)methanamine (CID 114180159) is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(3-propylimidazol-4-yl)methanamine.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(3-propylimidazol-4-yl)methanamine?
The canonical SMILES for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(3-propylimidazol-4-yl)methanamine is CCCn1cncc1CNCc1nc(C)c(C)o1.
What is the InChIKey of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(3-propylimidazol-4-yl)methanamine?
The InChIKey is PXBLFRDWIYMTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-4-5-17-9-15-7-12(17)6-14-8-13-16-10(2)11(3)18-13/h7,9,14H,4-6,8H2,1-3H3.
What are the key properties of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(3-propylimidazol-4-yl)methanamine?
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(3-propylimidazol-4-yl)methanamine has a molecular weight of 248.33 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(3-propylimidazol-4-yl)methanamine is sourced from PubChem (CID 114180159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).