1-[3-(1-propan-2-ylpyrazol-4-yl)-1,2-oxazol-5-yl]propan-1-amine

C12H18N4O — CID 106223965

IUPAC1-[3-(1-propan-2-ylpyrazol-4-yl)-1,2-oxazol-5-yl]propan-1-amine
SMILESCCC(N)c1cc(-c2cnn(C(C)C)c2)no1
InChIInChI=1S/C12H18N4O/c1-4-10(13)12-5-11(15-17-12)9-6-14-16(7-9)8(2)3/h5-8,10H,4,13H2,1-3H3
InChIKeyNXAPIOBTEKJIIG-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.53
Rot. Bonds4

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

1-[3-(1-propan-2-ylpyrazol-4-yl)-1,2-oxazol-5-yl]propan-1-amine (PubChem CID 106223965) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-[3-(1-propan-2-ylpyrazol-4-yl)-1,2-oxazol-5-yl]propan-1-amine.

Molecular Properties

Compound Name1-[3-(1-propan-2-ylpyrazol-4-yl)-1,2-oxazol-5-yl]propan-1-amine
PubChem CID106223965
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name1-[3-(1-propan-2-ylpyrazol-4-yl)-1,2-oxazol-5-yl]propan-1-amine
SMILESCCC(N)c1cc(-c2cnn(C(C)C)c2)no1
InChIInChI=1S/C12H18N4O/c1-4-10(13)12-5-11(15-17-12)9-6-14-16(7-9)8(2)3/h5-8,10H,4,13H2,1-3H3
InChIKeyNXAPIOBTEKJIIG-UHFFFAOYSA-N
XLogP2.53
TPSA69.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(3,5-difluorophenyl)-1,2-oxazol-5-yl]propan-1-amine
CID 106224117
1-[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-amine
CID 106224091
1-[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]propan-1-amine
CID 114160439
1-[3-(3-chloro-4-methoxyphenyl)-1,2-oxazol-5-yl]propan-1-amine
CID 106223910
1-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,2-oxazol-5-yl]propan-1-amine
CID 106223951
1-[3-(4-methyl-3-pyridinyl)-1,2-oxazol-5-yl]propan-1-amine
CID 106223961
2-bromo-6-(1-propan-2-ylpyrazol-4-yl)pyridine
CID 171783811
methyl 2-[3-(2-methoxypyrimidin-5-yl)-1,2-oxazol-5-yl]-3-methylpentanoate
CID 174175156
1-[3-(3-bromophenyl)-1,2-oxazol-5-yl]butan-1-amine
CID 114160504
4-(2,6-diethyl-4-propan-2-ylphenyl)-1-propan-2-ylpyrazole;platinum
CID 153414805
4-(2-ethyl-3,5,6-trimethylphenyl)-1-propan-2-ylpyrazole
CID 153413929
4-(2,6-diethylphenyl)-1-propan-2-ylpyrazole
CID 153414844

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-propan-2-ylpyrazol-4-yl)-1,2-oxazol-5-yl]propan-1-amine?
The IUPAC name of 1-[3-(1-propan-2-ylpyrazol-4-yl)-1,2-oxazol-5-yl]propan-1-amine (CID 106223965) is 1-[3-(1-propan-2-ylpyrazol-4-yl)-1,2-oxazol-5-yl]propan-1-amine.
What is the SMILES notation for 1-[3-(1-propan-2-ylpyrazol-4-yl)-1,2-oxazol-5-yl]propan-1-amine?
The canonical SMILES for 1-[3-(1-propan-2-ylpyrazol-4-yl)-1,2-oxazol-5-yl]propan-1-amine is CCC(N)c1cc(-c2cnn(C(C)C)c2)no1.
What is the InChIKey of 1-[3-(1-propan-2-ylpyrazol-4-yl)-1,2-oxazol-5-yl]propan-1-amine?
The InChIKey is NXAPIOBTEKJIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-4-10(13)12-5-11(15-17-12)9-6-14-16(7-9)8(2)3/h5-8,10H,4,13H2,1-3H3.
What are the key properties of 1-[3-(1-propan-2-ylpyrazol-4-yl)-1,2-oxazol-5-yl]propan-1-amine?
1-[3-(1-propan-2-ylpyrazol-4-yl)-1,2-oxazol-5-yl]propan-1-amine has a molecular weight of 234.30 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-propan-2-ylpyrazol-4-yl)-1,2-oxazol-5-yl]propan-1-amine is sourced from PubChem (CID 106223965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).