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

C11H16N4O — CID 79145453

IUPACN-[[5-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1ncoc1-c1cnn(C)c1
InChIInChI=1S/C11H16N4O/c1-8(2)12-5-10-11(16-7-13-10)9-4-14-15(3)6-9/h4,6-8,12H,5H2,1-3H3
InChIKeyOCDILVYOZQPKAM-UHFFFAOYSA-N
MW220.28 g/mol
LogP1.57
Rot. Bonds4

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

N-[[5-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]methyl]propan-2-amine (PubChem CID 79145453) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is N-[[5-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]methyl]propan-2-amine
PubChem CID79145453
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC NameN-[[5-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1ncoc1-c1cnn(C)c1
InChIInChI=1S/C11H16N4O/c1-8(2)12-5-10-11(16-7-13-10)9-4-14-15(3)6-9/h4,6-8,12H,5H2,1-3H3
InChIKeyOCDILVYOZQPKAM-UHFFFAOYSA-N
XLogP1.57
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

[5-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]methanol
CID 79145423
N-[(5-phenyl-1,3-oxazol-4-yl)methyl]propan-2-amine
CID 79145650
N-[[5-(5-methylfuran-3-yl)-1,3-oxazol-4-yl]methyl]propan-2-amine
CID 114824033
N-[[5-(3,5-dimethoxyphenyl)-1,3-oxazol-4-yl]methyl]propan-2-amine
CID 79145454
N-[[4-methyl-2-(1-methylpyrazol-4-yl)pyrimidin-5-yl]methyl]propan-2-amine
CID 114206474
N-[[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 62542707
N-[[5-(2,5-difluorophenyl)-1,3-oxazol-4-yl]methyl]propan-2-amine
CID 79144702
N-[[2-fluoro-5-(1-methylpyrazol-4-yl)phenyl]methyl]propan-2-amine
CID 54980296
N-[[5-(5-fluoro-2-methylphenyl)-1,3-oxazol-4-yl]methyl]propan-2-amine
CID 79145836
N-[[5-(4-chloro-2-fluorophenyl)-1,3-oxazol-4-yl]methyl]propan-2-amine
CID 79145835
N-[[2-(1-methylpyrazol-4-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114364134
N-[[5-(oxan-4-yl)-1,3-oxazol-4-yl]methyl]propan-2-amine
CID 79145641

Frequently Asked Questions

What is the IUPAC name of N-[[5-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]methyl]propan-2-amine (CID 79145453) is N-[[5-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]methyl]propan-2-amine is CC(C)NCc1ncoc1-c1cnn(C)c1.
What is the InChIKey of N-[[5-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]methyl]propan-2-amine?
The InChIKey is OCDILVYOZQPKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-8(2)12-5-10-11(16-7-13-10)9-4-14-15(3)6-9/h4,6-8,12H,5H2,1-3H3.
What are the key properties of N-[[5-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]methyl]propan-2-amine?
N-[[5-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]methyl]propan-2-amine has a molecular weight of 220.28 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 79145453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).