1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol

C12H18N4O2 — CID 106372834

IUPAC1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol
SMILESCc1nc(CNCC(O)Cn2cccn2)oc1C
InChIInChI=1S/C12H18N4O2/c1-9-10(2)18-12(15-9)7-13-6-11(17)8-16-5-3-4-14-16/h3-5,11,13,17H,6-8H2,1-2H3
InChIKeyWBOSHQQZMPLGDP-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.64
Rot. Bonds6

About 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol

1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol (PubChem CID 106372834) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol
PubChem CID106372834
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol
SMILESCc1nc(CNCC(O)Cn2cccn2)oc1C
InChIInChI=1S/C12H18N4O2/c1-9-10(2)18-12(15-9)7-13-6-11(17)8-16-5-3-4-14-16/h3-5,11,13,17H,6-8H2,1-2H3
InChIKeyWBOSHQQZMPLGDP-UHFFFAOYSA-N
XLogP0.64
TPSA76.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol
CID 54903619
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methyl-3-(2-methyl-3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 109430732
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3-ethoxypropan-2-ol
CID 106372686
1-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol
CID 106044829
1-[(5-methylpyrazin-2-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol
CID 62847006
1-(2-methylpropylamino)-3-pyrazol-1-ylpropan-2-ol
CID 60904302
1-[(1-methylpyrazol-3-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol
CID 82881683
1-pyrazol-1-yl-3-(pyridin-2-ylmethylamino)propan-2-ol
CID 60901076
N-ethyl-2-[(2-hydroxy-3-pyrazol-1-ylpropyl)amino]acetamide
CID 60910442
1-cyclopentyl-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]propan-2-ol
CID 106372516
1-[(2-fluorophenyl)methylamino]-3-pyrazol-1-ylpropan-2-ol
CID 60899710
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-1-(furan-2-yl)ethanol
CID 106372593

Frequently Asked Questions

What is the IUPAC name of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol?
The IUPAC name of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol (CID 106372834) is 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol.
What is the SMILES notation for 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol?
The canonical SMILES for 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol is Cc1nc(CNCC(O)Cn2cccn2)oc1C.
What is the InChIKey of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol?
The InChIKey is WBOSHQQZMPLGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-9-10(2)18-12(15-9)7-13-6-11(17)8-16-5-3-4-14-16/h3-5,11,13,17H,6-8H2,1-2H3.
What are the key properties of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol?
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol has a molecular weight of 250.30 g/mol, XLogP of 0.64, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol is sourced from PubChem (CID 106372834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).