N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(3-propan-2-ylimidazol-4-yl)methanamine

C13H20N4O — CID 114179966

IUPACN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(3-propan-2-ylimidazol-4-yl)methanamine
SMILESCCc1cnc(CNCc2cncn2C(C)C)o1
InChIInChI=1S/C13H20N4O/c1-4-12-7-16-13(18-12)8-14-5-11-6-15-9-17(11)10(2)3/h6-7,9-10,14H,4-5,8H2,1-3H3
InChIKeyOHZSNXIJXZUTDH-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.30
Rot. Bonds6

About N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(3-propan-2-ylimidazol-4-yl)methanamine

N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(3-propan-2-ylimidazol-4-yl)methanamine (PubChem CID 114179966) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(3-propan-2-ylimidazol-4-yl)methanamine.

Molecular Properties

Compound NameN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(3-propan-2-ylimidazol-4-yl)methanamine
PubChem CID114179966
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC NameN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(3-propan-2-ylimidazol-4-yl)methanamine
SMILESCCc1cnc(CNCc2cncn2C(C)C)o1
InChIInChI=1S/C13H20N4O/c1-4-12-7-16-13(18-12)8-14-5-11-6-15-9-17(11)10(2)3/h6-7,9-10,14H,4-5,8H2,1-3H3
InChIKeyOHZSNXIJXZUTDH-UHFFFAOYSA-N
XLogP2.30
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 ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(3-propan-2-ylimidazol-4-yl)methanamine with MolForge

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Related Compounds

(2R)-1-[(5-ethyl-1,3-oxazol-2-yl)methylamino]propan-2-ol
CID 106371562
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(1H-imidazol-5-yl)methanamine
CID 103275143
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-pyridin-4-ylmethanamine
CID 103275184
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 113246429
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,2-difluoroethanamine
CID 106371339
1-(6-methyl-3-pyridinyl)-N-[(3-propan-2-ylimidazol-4-yl)methyl]methanamine
CID 66161982
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(furan-3-yl)methanamine
CID 103275149
1-(3-ethyl-1-methylpyrazol-4-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine
CID 103096743
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]butan-1-amine
CID 106369292
N'-[(3-propan-2-ylimidazol-4-yl)methyl]propane-1,3-diamine
CID 66132307
N-[(3-propan-2-ylimidazol-4-yl)methyl]-1-pyridin-3-ylmethanamine
CID 66131281
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-methoxy-2-methylpropan-1-amine
CID 103275226

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(3-propan-2-ylimidazol-4-yl)methanamine?
The IUPAC name of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(3-propan-2-ylimidazol-4-yl)methanamine (CID 114179966) is N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(3-propan-2-ylimidazol-4-yl)methanamine.
What is the SMILES notation for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(3-propan-2-ylimidazol-4-yl)methanamine?
The canonical SMILES for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(3-propan-2-ylimidazol-4-yl)methanamine is CCc1cnc(CNCc2cncn2C(C)C)o1.
What is the InChIKey of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(3-propan-2-ylimidazol-4-yl)methanamine?
The InChIKey is OHZSNXIJXZUTDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-4-12-7-16-13(18-12)8-14-5-11-6-15-9-17(11)10(2)3/h6-7,9-10,14H,4-5,8H2,1-3H3.
What are the key properties of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(3-propan-2-ylimidazol-4-yl)methanamine?
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(3-propan-2-ylimidazol-4-yl)methanamine has a molecular weight of 248.33 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(3-propan-2-ylimidazol-4-yl)methanamine is sourced from PubChem (CID 114179966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).