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

C11H17N5O — CID 63998335

IUPAC2-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]propan-2-amine
SMILESCc1nc(Cn2cc(C(C)(C)N)nn2)oc1C
InChIInChI=1S/C11H17N5O/c1-7-8(2)17-10(13-7)6-16-5-9(14-15-16)11(3,4)12/h5H,6,12H2,1-4H3
InChIKeyLXDPSLVRTHXFTO-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.13
Rot. Bonds3

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

2-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]propan-2-amine (PubChem CID 63998335) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]propan-2-amine.

Molecular Properties

Compound Name2-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]propan-2-amine
PubChem CID63998335
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name2-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]propan-2-amine
SMILESCc1nc(Cn2cc(C(C)(C)N)nn2)oc1C
InChIInChI=1S/C11H17N5O/c1-7-8(2)17-10(13-7)6-16-5-9(14-15-16)11(3,4)12/h5H,6,12H2,1-4H3
InChIKeyLXDPSLVRTHXFTO-UHFFFAOYSA-N
XLogP1.13
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]propan-2-amine?
The IUPAC name of 2-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]propan-2-amine (CID 63998335) is 2-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]propan-2-amine.
What is the SMILES notation for 2-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]propan-2-amine?
The canonical SMILES for 2-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]propan-2-amine is Cc1nc(Cn2cc(C(C)(C)N)nn2)oc1C.
What is the InChIKey of 2-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]propan-2-amine?
The InChIKey is LXDPSLVRTHXFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-7-8(2)17-10(13-7)6-16-5-9(14-15-16)11(3,4)12/h5H,6,12H2,1-4H3.
What are the key properties of 2-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]propan-2-amine?
2-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]propan-2-amine has a molecular weight of 235.29 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]propan-2-amine is sourced from PubChem (CID 63998335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).