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

C11H16N4O — CID 65187194

IUPACN-methyl-3-[5-(1-methylpyrazol-4-yl)-1,3-oxazol-2-yl]propan-1-amine
SMILESCNCCCc1ncc(-c2cnn(C)c2)o1
InChIInChI=1S/C11H16N4O/c1-12-5-3-4-11-13-7-10(16-11)9-6-14-15(2)8-9/h6-8,12H,3-5H2,1-2H3
InChIKeyXCILRDPWCXMJGC-UHFFFAOYSA-N
MW220.28 g/mol
LogP1.23
Rot. Bonds5

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

N-methyl-3-[5-(1-methylpyrazol-4-yl)-1,3-oxazol-2-yl]propan-1-amine (PubChem CID 65187194) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is N-methyl-3-[5-(1-methylpyrazol-4-yl)-1,3-oxazol-2-yl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-[5-(1-methylpyrazol-4-yl)-1,3-oxazol-2-yl]propan-1-amine
PubChem CID65187194
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC NameN-methyl-3-[5-(1-methylpyrazol-4-yl)-1,3-oxazol-2-yl]propan-1-amine
SMILESCNCCCc1ncc(-c2cnn(C)c2)o1
InChIInChI=1S/C11H16N4O/c1-12-5-3-4-11-13-7-10(16-11)9-6-14-15(2)8-9/h6-8,12H,3-5H2,1-2H3
InChIKeyXCILRDPWCXMJGC-UHFFFAOYSA-N
XLogP1.23
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 51.23
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
3-[5-(2-iodophenyl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine
CID 65186809
2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methylethanamine
CID 65182883
3-[5-(2,4-dibromophenyl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine
CID 107941921
3-[5-(5-chloro-2-methylphenyl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine
CID 82891205
N-methyl-2-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 65196540
3-[5-(4-methoxythiophen-2-yl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine
CID 81129006
3-[5-(methoxymethyl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine
CID 65186999
N-propan-2-yl-3-[5-(3,4,5-trifluorophenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 65186839
N-propyl-3-[5-(3,4,5-trifluorophenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 65187510
N-methyl-3-[5-(1-methylsulfonylethyl)-1,3-oxazol-2-yl]propan-1-amine
CID 104522638
N-ethyl-2-[5-(1-phenylpyrazol-4-yl)-1,3-oxazol-2-yl]ethanamine
CID 65183099

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[5-(1-methylpyrazol-4-yl)-1,3-oxazol-2-yl]propan-1-amine?
The IUPAC name of N-methyl-3-[5-(1-methylpyrazol-4-yl)-1,3-oxazol-2-yl]propan-1-amine (CID 65187194) is N-methyl-3-[5-(1-methylpyrazol-4-yl)-1,3-oxazol-2-yl]propan-1-amine.
What is the SMILES notation for N-methyl-3-[5-(1-methylpyrazol-4-yl)-1,3-oxazol-2-yl]propan-1-amine?
The canonical SMILES for N-methyl-3-[5-(1-methylpyrazol-4-yl)-1,3-oxazol-2-yl]propan-1-amine is CNCCCc1ncc(-c2cnn(C)c2)o1.
What is the InChIKey of N-methyl-3-[5-(1-methylpyrazol-4-yl)-1,3-oxazol-2-yl]propan-1-amine?
The InChIKey is XCILRDPWCXMJGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-12-5-3-4-11-13-7-10(16-11)9-6-14-15(2)8-9/h6-8,12H,3-5H2,1-2H3.
What are the key properties of N-methyl-3-[5-(1-methylpyrazol-4-yl)-1,3-oxazol-2-yl]propan-1-amine?
N-methyl-3-[5-(1-methylpyrazol-4-yl)-1,3-oxazol-2-yl]propan-1-amine has a molecular weight of 220.28 g/mol, XLogP of 1.23, 5 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-methylpyrazol-4-yl)-1,3-oxazol-2-yl]propan-1-amine is sourced from PubChem (CID 65187194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).