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

C16H18N4O — CID 65186852

IUPACN-methyl-3-[5-(1-phenylpyrazol-4-yl)-1,3-oxazol-2-yl]propan-1-amine
SMILESCNCCCc1ncc(-c2cnn(-c3ccccc3)c2)o1
InChIInChI=1S/C16H18N4O/c1-17-9-5-8-16-18-11-15(21-16)13-10-19-20(12-13)14-6-3-2-4-7-14/h2-4,6-7,10-12,17H,5,8-9H2,1H3
InChIKeyCGXJKYJOZYNLCA-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.68
Rot. Bonds6

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

N-methyl-3-[5-(1-phenylpyrazol-4-yl)-1,3-oxazol-2-yl]propan-1-amine (PubChem CID 65186852) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is N-methyl-3-[5-(1-phenylpyrazol-4-yl)-1,3-oxazol-2-yl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-[5-(1-phenylpyrazol-4-yl)-1,3-oxazol-2-yl]propan-1-amine
PubChem CID65186852
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC NameN-methyl-3-[5-(1-phenylpyrazol-4-yl)-1,3-oxazol-2-yl]propan-1-amine
SMILESCNCCCc1ncc(-c2cnn(-c3ccccc3)c2)o1
InChIInChI=1S/C16H18N4O/c1-17-9-5-8-16-18-11-15(21-16)13-10-19-20(12-13)14-6-3-2-4-7-14/h2-4,6-7,10-12,17H,5,8-9H2,1H3
InChIKeyCGXJKYJOZYNLCA-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-ethyl-2-[5-(1-phenylpyrazol-4-yl)-1,3-oxazol-2-yl]ethanamine
CID 65183099
N-methyl-3-[5-(1-methylpyrazol-4-yl)-1,3-oxazol-2-yl]propan-1-amine
CID 65187194
N-methyl-1-[5-(1-phenylpyrazol-4-yl)-1,3-oxazol-2-yl]ethanamine
CID 65181579
3-[5-(2-iodophenyl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine
CID 65186809
N-methyl-2-[4-(1-phenylpyrazol-4-yl)-1,3-thiazol-2-yl]ethanamine
CID 81471174
N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 86980187
2-(3-chloropropyl)-5-phenyl-1,3-oxazole
CID 10353470
N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-methyl-1-(1-phenylpyrazol-4-yl)methanamine
CID 27101616
2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methylethanamine
CID 65182883
3-[5-(5-chloro-2-methylphenyl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine
CID 82891205
3-[5-(2,4-dibromophenyl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine
CID 107941921
N-[3-(methylamino)propyl]-3-(1-phenylpyrazol-4-yl)propanamide;hydrochloride
CID 119430045

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[5-(1-phenylpyrazol-4-yl)-1,3-oxazol-2-yl]propan-1-amine?
The IUPAC name of N-methyl-3-[5-(1-phenylpyrazol-4-yl)-1,3-oxazol-2-yl]propan-1-amine (CID 65186852) is N-methyl-3-[5-(1-phenylpyrazol-4-yl)-1,3-oxazol-2-yl]propan-1-amine.
What is the SMILES notation for N-methyl-3-[5-(1-phenylpyrazol-4-yl)-1,3-oxazol-2-yl]propan-1-amine?
The canonical SMILES for N-methyl-3-[5-(1-phenylpyrazol-4-yl)-1,3-oxazol-2-yl]propan-1-amine is CNCCCc1ncc(-c2cnn(-c3ccccc3)c2)o1.
What is the InChIKey of N-methyl-3-[5-(1-phenylpyrazol-4-yl)-1,3-oxazol-2-yl]propan-1-amine?
The InChIKey is CGXJKYJOZYNLCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-17-9-5-8-16-18-11-15(21-16)13-10-19-20(12-13)14-6-3-2-4-7-14/h2-4,6-7,10-12,17H,5,8-9H2,1H3.
What are the key properties of N-methyl-3-[5-(1-phenylpyrazol-4-yl)-1,3-oxazol-2-yl]propan-1-amine?
N-methyl-3-[5-(1-phenylpyrazol-4-yl)-1,3-oxazol-2-yl]propan-1-amine 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-methyl-3-[5-(1-phenylpyrazol-4-yl)-1,3-oxazol-2-yl]propan-1-amine is sourced from PubChem (CID 65186852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).