1-(1H-imidazol-5-yl)-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]-1-phenylmethanamine

C19H24N4O — CID 136561379

IUPAC1-(1H-imidazol-5-yl)-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]-1-phenylmethanamine
SMILESCCC(CC)c1cc(CNC(c2ccccc2)c2cnc[nH]2)on1
InChIInChI=1S/C19H24N4O/c1-3-14(4-2)17-10-16(24-23-17)11-21-19(18-12-20-13-22-18)15-8-6-5-7-9-15/h5-10,12-14,19,21H,3-4,11H2,1-2H3,(H,20,22)
InChIKeyALBMSCVUHFACMV-UHFFFAOYSA-N
MW324.43 g/mol
LogP4.18
Rot. Bonds8

About 1-(1H-imidazol-5-yl)-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]-1-phenylmethanamine

1-(1H-imidazol-5-yl)-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]-1-phenylmethanamine (PubChem CID 136561379) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 1-(1H-imidazol-5-yl)-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]-1-phenylmethanamine.

Molecular Properties

Compound Name1-(1H-imidazol-5-yl)-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]-1-phenylmethanamine
PubChem CID136561379
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name1-(1H-imidazol-5-yl)-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]-1-phenylmethanamine
SMILESCCC(CC)c1cc(CNC(c2ccccc2)c2cnc[nH]2)on1
InChIInChI=1S/C19H24N4O/c1-3-14(4-2)17-10-16(24-23-17)11-21-19(18-12-20-13-22-18)15-8-6-5-7-9-15/h5-10,12-14,19,21H,3-4,11H2,1-2H3,(H,20,22)
InChIKeyALBMSCVUHFACMV-UHFFFAOYSA-N
XLogP4.18
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(1H-imidazol-5-yl)-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]-1-phenylmethanamine with MolForge

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Related Compounds

N-benzyl-1-(1H-imidazol-5-yl)-1-phenylmethanamine
CID 164896206
N-[[2-(2,2-difluorocyclopropyl)pyrazol-3-yl]methyl]-1-(1H-imidazol-5-yl)-1-phenylmethanamine
CID 167845313
ethane;5-(1-phenylethyl)-1H-imidazole
CID 123176556
N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pentan-3-amine
CID 115720213
3-[(3-pentan-3-yl-1,2-oxazol-5-yl)methylcarbamoylamino]propanoic acid
CID 122003771
N-(1H-imidazol-5-ylmethyl)-1-phenyl-1-pyridin-4-ylmethanamine
CID 63109462
1-ethyl-3-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]urea
CID 71994479
3-pentan-3-yl-5-[(sulfamoylamino)methyl]-1,2-oxazole
CID 71997313
2-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]-1-phenylguanidine
CID 111465268
4-[[1H-imidazol-5-yl(phenyl)methyl]amino]benzene-1,3-diol
CID 91142049
2-chloro-6-[[1H-imidazol-5-yl(phenyl)methyl]amino]phenol
CID 91110726
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-phenylethanamine
CID 60713961

Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-5-yl)-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]-1-phenylmethanamine?
The IUPAC name of 1-(1H-imidazol-5-yl)-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]-1-phenylmethanamine (CID 136561379) is 1-(1H-imidazol-5-yl)-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]-1-phenylmethanamine.
What is the SMILES notation for 1-(1H-imidazol-5-yl)-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]-1-phenylmethanamine?
The canonical SMILES for 1-(1H-imidazol-5-yl)-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]-1-phenylmethanamine is CCC(CC)c1cc(CNC(c2ccccc2)c2cnc[nH]2)on1.
What is the InChIKey of 1-(1H-imidazol-5-yl)-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]-1-phenylmethanamine?
The InChIKey is ALBMSCVUHFACMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-3-14(4-2)17-10-16(24-23-17)11-21-19(18-12-20-13-22-18)15-8-6-5-7-9-15/h5-10,12-14,19,21H,3-4,11H2,1-2H3,(H,20,22).
What are the key properties of 1-(1H-imidazol-5-yl)-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]-1-phenylmethanamine?
1-(1H-imidazol-5-yl)-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]-1-phenylmethanamine has a molecular weight of 324.43 g/mol, XLogP of 4.18, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-5-yl)-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]-1-phenylmethanamine is sourced from PubChem (CID 136561379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).