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

C16H20N4O — CID 103123663

IUPAC2-methyl-N-[[5-(1-methylindazol-3-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1ncoc1-c1nn(C)c2ccccc12
InChIInChI=1S/C16H20N4O/c1-11(2)8-17-9-13-16(21-10-18-13)15-12-6-4-5-7-14(12)20(3)19-15/h4-7,10-11,17H,8-9H2,1-3H3
InChIKeyJWAULHRWGGWKEV-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.97
Rot. Bonds5

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

2-methyl-N-[[5-(1-methylindazol-3-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine (PubChem CID 103123663) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-methyl-N-[[5-(1-methylindazol-3-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[5-(1-methylindazol-3-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine
PubChem CID103123663
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name2-methyl-N-[[5-(1-methylindazol-3-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1ncoc1-c1nn(C)c2ccccc12
InChIInChI=1S/C16H20N4O/c1-11(2)8-17-9-13-16(21-10-18-13)15-12-6-4-5-7-14(12)20(3)19-15/h4-7,10-11,17H,8-9H2,1-3H3
InChIKeyJWAULHRWGGWKEV-UHFFFAOYSA-N
XLogP2.97
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-(1-methylindazol-3-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[5-(1-methylindazol-3-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine (CID 103123663) is 2-methyl-N-[[5-(1-methylindazol-3-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[5-(1-methylindazol-3-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[5-(1-methylindazol-3-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine is CC(C)CNCc1ncoc1-c1nn(C)c2ccccc12.
What is the InChIKey of 2-methyl-N-[[5-(1-methylindazol-3-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine?
The InChIKey is JWAULHRWGGWKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-11(2)8-17-9-13-16(21-10-18-13)15-12-6-4-5-7-14(12)20(3)19-15/h4-7,10-11,17H,8-9H2,1-3H3.
What are the key properties of 2-methyl-N-[[5-(1-methylindazol-3-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine?
2-methyl-N-[[5-(1-methylindazol-3-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine has a molecular weight of 284.36 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[5-(1-methylindazol-3-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 103123663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).