N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-(1-propan-2-ylpyrazol-3-yl)methanamine

C12H18N4O — CID 64771454

IUPACN-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-(1-propan-2-ylpyrazol-3-yl)methanamine
SMILESCc1cc(CNCc2ccn(C(C)C)n2)on1
InChIInChI=1S/C12H18N4O/c1-9(2)16-5-4-11(14-16)7-13-8-12-6-10(3)15-17-12/h4-6,9,13H,7-8H2,1-3H3
InChIKeyJPPZQUUXNDRNBZ-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.05
Rot. Bonds5

About N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-(1-propan-2-ylpyrazol-3-yl)methanamine

N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-(1-propan-2-ylpyrazol-3-yl)methanamine (PubChem CID 64771454) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-(1-propan-2-ylpyrazol-3-yl)methanamine.

Molecular Properties

Compound NameN-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-(1-propan-2-ylpyrazol-3-yl)methanamine
PubChem CID64771454
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC NameN-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-(1-propan-2-ylpyrazol-3-yl)methanamine
SMILESCc1cc(CNCc2ccn(C(C)C)n2)on1
InChIInChI=1S/C12H18N4O/c1-9(2)16-5-4-11(14-16)7-13-8-12-6-10(3)15-17-12/h4-6,9,13H,7-8H2,1-3H3
InChIKeyJPPZQUUXNDRNBZ-UHFFFAOYSA-N
XLogP2.05
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-(1-propan-2-ylpyrazol-3-yl)methanamine with MolForge

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Related Compounds

1-(1-butan-2-ylpyrazol-3-yl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine
CID 64800108
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(1-propan-2-ylpyrazol-3-yl)methanamine
CID 64771268
3-iodo-N-[(1-propan-2-ylpyrazol-3-yl)methyl]propan-1-amine
CID 114503659
N-[(1-methylpyrrol-2-yl)methyl]-1-(1-propan-2-ylpyrazol-3-yl)methanamine
CID 122168776
1-(2,4-difluorophenyl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]methanamine
CID 64687357
N',N'-diethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]ethane-1,2-diamine
CID 60719969
N,N-dimethyl-4-[[(1-propan-2-ylpyrazol-3-yl)methylamino]methyl]aniline
CID 122168247
3-[[(1-propan-2-ylpyrazol-3-yl)methylamino]methyl]phenol;hydrochloride
CID 126966507
N-[[2-(2-methylpropyl)pyrazol-3-yl]methyl]-1-(1-propan-2-ylpyrazol-3-yl)methanamine
CID 122167384
N-[(2-ethylpyrazol-3-yl)methyl]-1-(1-propan-2-ylpyrazol-3-yl)methanamine;hydrochloride
CID 126964762
N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]-1-(1-propan-2-ylpyrazol-3-yl)methanamine
CID 122169111
2,2-dimethyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]butan-1-amine
CID 103699639

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-(1-propan-2-ylpyrazol-3-yl)methanamine?
The IUPAC name of N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-(1-propan-2-ylpyrazol-3-yl)methanamine (CID 64771454) is N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-(1-propan-2-ylpyrazol-3-yl)methanamine.
What is the SMILES notation for N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-(1-propan-2-ylpyrazol-3-yl)methanamine?
The canonical SMILES for N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-(1-propan-2-ylpyrazol-3-yl)methanamine is Cc1cc(CNCc2ccn(C(C)C)n2)on1.
What is the InChIKey of N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-(1-propan-2-ylpyrazol-3-yl)methanamine?
The InChIKey is JPPZQUUXNDRNBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-9(2)16-5-4-11(14-16)7-13-8-12-6-10(3)15-17-12/h4-6,9,13H,7-8H2,1-3H3.
What are the key properties of N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-(1-propan-2-ylpyrazol-3-yl)methanamine?
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-(1-propan-2-ylpyrazol-3-yl)methanamine has a molecular weight of 234.30 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-(1-propan-2-ylpyrazol-3-yl)methanamine is sourced from PubChem (CID 64771454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).