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

C16H18N4O — CID 104889468

IUPACN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine
SMILESCCc1cnc(CNCc2ccc(-n3cccn3)cc2)o1
InChIInChI=1S/C16H18N4O/c1-2-15-11-18-16(21-15)12-17-10-13-4-6-14(7-5-13)20-9-3-8-19-20/h3-9,11,17H,2,10,12H2,1H3
InChIKeyCGZJIMGAWVKFIH-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.71
Rot. Bonds6

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

N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine (PubChem CID 104889468) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine.

Molecular Properties

Compound NameN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine
PubChem CID104889468
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC NameN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine
SMILESCCc1cnc(CNCc2ccc(-n3cccn3)cc2)o1
InChIInChI=1S/C16H18N4O/c1-2-15-11-18-16(21-15)12-17-10-13-4-6-14(7-5-13)20-9-3-8-19-20/h3-9,11,17H,2,10,12H2,1H3
InChIKeyCGZJIMGAWVKFIH-UHFFFAOYSA-N
XLogP2.71
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-(4-trimethylsilylphenyl)methanamine
CID 106371023
4-[[(5-ethyl-1,3-oxazol-2-yl)methylamino]methyl]benzonitrile
CID 104969494
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(furan-3-yl)methanamine
CID 103275149
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(4-propoxyphenyl)methanamine
CID 103275364
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(1H-pyrazol-5-yl)methanamine
CID 103275150
N-[(3-methylphenyl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine
CID 43768777
1-(1-ethenylpyrazol-4-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine
CID 107095512
4-ethyl-N-[(4-pyrazol-1-ylphenyl)methyl]aniline
CID 43226671
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine
CID 104889435
1-(4-bromo-3-fluorophenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine
CID 103275273
3,3-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]butan-1-amine
CID 115581160

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine?
The IUPAC name of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine (CID 104889468) is N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine.
What is the SMILES notation for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine?
The canonical SMILES for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine is CCc1cnc(CNCc2ccc(-n3cccn3)cc2)o1.
What is the InChIKey of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine?
The InChIKey is CGZJIMGAWVKFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-2-15-11-18-16(21-15)12-17-10-13-4-6-14(7-5-13)20-9-3-8-19-20/h3-9,11,17H,2,10,12H2,1H3.
What are the key properties of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine?
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine has a molecular weight of 282.35 g/mol, XLogP of 2.71, 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-(4-pyrazol-1-ylphenyl)methanamine is sourced from PubChem (CID 104889468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).