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

C16H18N4O — CID 65183099

IUPACN-ethyl-2-[5-(1-phenylpyrazol-4-yl)-1,3-oxazol-2-yl]ethanamine
SMILESCCNCCc1ncc(-c2cnn(-c3ccccc3)c2)o1
InChIInChI=1S/C16H18N4O/c1-2-17-9-8-16-18-11-15(21-16)13-10-19-20(12-13)14-6-4-3-5-7-14/h3-7,10-12,17H,2,8-9H2,1H3
InChIKeyYCDPUTQVOMXTAH-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.68
Rot. Bonds6

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

N-ethyl-2-[5-(1-phenylpyrazol-4-yl)-1,3-oxazol-2-yl]ethanamine (PubChem CID 65183099) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is N-ethyl-2-[5-(1-phenylpyrazol-4-yl)-1,3-oxazol-2-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-2-[5-(1-phenylpyrazol-4-yl)-1,3-oxazol-2-yl]ethanamine
PubChem CID65183099
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC NameN-ethyl-2-[5-(1-phenylpyrazol-4-yl)-1,3-oxazol-2-yl]ethanamine
SMILESCCNCCc1ncc(-c2cnn(-c3ccccc3)c2)o1
InChIInChI=1S/C16H18N4O/c1-2-17-9-8-16-18-11-15(21-16)13-10-19-20(12-13)14-6-4-3-5-7-14/h3-7,10-12,17H,2,8-9H2,1H3
InChIKeyYCDPUTQVOMXTAH-UHFFFAOYSA-N
XLogP2.68
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 ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-3-[5-(1-phenylpyrazol-4-yl)-1,3-oxazol-2-yl]propan-1-amine
CID 65186852
N-methyl-1-[5-(1-phenylpyrazol-4-yl)-1,3-oxazol-2-yl]ethanamine
CID 65181579
2-[5-(3-chlorophenyl)-1,3-oxazol-2-yl]-N-ethylethanamine
CID 65183004
N-ethyl-2-[5-(2-iodophenyl)-1,3-oxazol-2-yl]ethanamine
CID 65183054
2-[5-(2,6-dichlorophenyl)-1,3-oxazol-2-yl]-N-ethylethanamine
CID 65182949
N-ethyl-2-[5-(2-methoxyphenyl)-1,3-oxazol-2-yl]ethanamine
CID 65182800
2-[5-(3-bromo-4-chlorophenyl)-1,3-oxazol-2-yl]-N-ethylethanamine
CID 107994741
2-[5-(4-bromo-3-fluorophenyl)-1,3-oxazol-2-yl]-N-ethylethanamine
CID 65182798
N-[2-(ethylamino)ethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride
CID 119505974
N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-methyl-1-(1-phenylpyrazol-4-yl)methanamine
CID 27101616
N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 86980187
2-[5-(2,6-difluoro-3-methylphenyl)-1,3-oxazol-2-yl]-N-ethylethanamine
CID 82817976

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[5-(1-phenylpyrazol-4-yl)-1,3-oxazol-2-yl]ethanamine?
The IUPAC name of N-ethyl-2-[5-(1-phenylpyrazol-4-yl)-1,3-oxazol-2-yl]ethanamine (CID 65183099) is N-ethyl-2-[5-(1-phenylpyrazol-4-yl)-1,3-oxazol-2-yl]ethanamine.
What is the SMILES notation for N-ethyl-2-[5-(1-phenylpyrazol-4-yl)-1,3-oxazol-2-yl]ethanamine?
The canonical SMILES for N-ethyl-2-[5-(1-phenylpyrazol-4-yl)-1,3-oxazol-2-yl]ethanamine is CCNCCc1ncc(-c2cnn(-c3ccccc3)c2)o1.
What is the InChIKey of N-ethyl-2-[5-(1-phenylpyrazol-4-yl)-1,3-oxazol-2-yl]ethanamine?
The InChIKey is YCDPUTQVOMXTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-2-17-9-8-16-18-11-15(21-16)13-10-19-20(12-13)14-6-4-3-5-7-14/h3-7,10-12,17H,2,8-9H2,1H3.
What are the key properties of N-ethyl-2-[5-(1-phenylpyrazol-4-yl)-1,3-oxazol-2-yl]ethanamine?
N-ethyl-2-[5-(1-phenylpyrazol-4-yl)-1,3-oxazol-2-yl]ethanamine has a molecular weight of 282.35 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[5-(1-phenylpyrazol-4-yl)-1,3-oxazol-2-yl]ethanamine is sourced from PubChem (CID 65183099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).