N-[[5-[(4-phenylpyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine

C16H18N4O — CID 62771173

IUPACN-[[5-[(4-phenylpyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
SMILESCCNCc1cc(Cn2cc(-c3ccccc3)cn2)on1
InChIInChI=1S/C16H18N4O/c1-2-17-10-15-8-16(21-19-15)12-20-11-14(9-18-20)13-6-4-3-5-7-13/h3-9,11,17H,2,10,12H2,1H3
InChIKeyWMFMMCCMBPSCHI-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.70
Rot. Bonds6

About N-[[5-[(4-phenylpyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine

N-[[5-[(4-phenylpyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine (PubChem CID 62771173) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is N-[[5-[(4-phenylpyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-[(4-phenylpyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
PubChem CID62771173
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC NameN-[[5-[(4-phenylpyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
SMILESCCNCc1cc(Cn2cc(-c3ccccc3)cn2)on1
InChIInChI=1S/C16H18N4O/c1-2-17-10-15-8-16(21-19-15)12-20-11-14(9-18-20)13-6-4-3-5-7-13/h3-9,11,17H,2,10,12H2,1H3
InChIKeyWMFMMCCMBPSCHI-UHFFFAOYSA-N
XLogP2.70
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 ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-cyclopropyl-N-[1-(2-methylbenzyl)-1H-pyrazol-4-yl]isoxazole-3-carboxamide
CID 16188847
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-phenylacetamide
CID 57422266
1-benzyl-3-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)urea
CID 57422420
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-3-phenylpropanamide
CID 57944900
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-phenylbutanamide
CID 57944991
(2S)-N'-tert-butyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-N-[2-[(3-pyrazol-1-ylbenzoyl)amino]ethyl]butanediamide
CID 153140370
5-Phenyl-isoxazole-3-carboxylic acid (1-isopropyl-1H-pyrazol-4-yl)-amide
CID 1093761
N-[3,5-dimethyl-1-(4-methylbenzyl)-1H-pyrazol-4-yl]-3-methyl-5-isoxazolecarboxamide
CID 9550989
N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-methyl-1,2-oxazole-5-carboxamide
CID 9550990
N-(cyclopropylmethyl)-1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3-phenylpyrazole-5-carboxamide
CID 24980474
N-(cyclopropylmethyl)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-phenylpyrazole-3-carboxamide
CID 24980536
1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-[(4-methylphenyl)methyl]-3-phenylpyrazole-5-carboxamide
CID 24980540

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(4-phenylpyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine?
The IUPAC name of N-[[5-[(4-phenylpyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine (CID 62771173) is N-[[5-[(4-phenylpyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-[(4-phenylpyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-[(4-phenylpyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine is CCNCc1cc(Cn2cc(-c3ccccc3)cn2)on1.
What is the InChIKey of N-[[5-[(4-phenylpyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine?
The InChIKey is WMFMMCCMBPSCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-2-17-10-15-8-16(21-19-15)12-20-11-14(9-18-20)13-6-4-3-5-7-13/h3-9,11,17H,2,10,12H2,1H3.
What are the key properties of N-[[5-[(4-phenylpyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine?
N-[[5-[(4-phenylpyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine has a molecular weight of 282.35 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(4-phenylpyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine is sourced from PubChem (CID 62771173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).