5-(2-aminoethyl)-N,N,4-trimethyl-1,3-oxazol-2-amine

C8H15N3O — CID 83873889

IUPAC5-(2-aminoethyl)-N,N,4-trimethyl-1,3-oxazol-2-amine
SMILESCc1nc(N(C)C)oc1CCN
InChIInChI=1S/C8H15N3O/c1-6-7(4-5-9)12-8(10-6)11(2)3/h4-5,9H2,1-3H3
InChIKeyPCKVRLBIRFADGP-UHFFFAOYSA-N
MW169.23 g/mol
LogP0.55
Rot. Bonds3

About 5-(2-aminoethyl)-N,N,4-trimethyl-1,3-oxazol-2-amine

5-(2-aminoethyl)-N,N,4-trimethyl-1,3-oxazol-2-amine (PubChem CID 83873889) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 5-(2-aminoethyl)-N,N,4-trimethyl-1,3-oxazol-2-amine.

Molecular Properties

Compound Name5-(2-aminoethyl)-N,N,4-trimethyl-1,3-oxazol-2-amine
PubChem CID83873889
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name5-(2-aminoethyl)-N,N,4-trimethyl-1,3-oxazol-2-amine
SMILESCc1nc(N(C)C)oc1CCN
InChIInChI=1S/C8H15N3O/c1-6-7(4-5-9)12-8(10-6)11(2)3/h4-5,9H2,1-3H3
InChIKeyPCKVRLBIRFADGP-UHFFFAOYSA-N
XLogP0.55
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-N,N,4-trimethyl-1,3-oxazol-2-amine?
The IUPAC name of 5-(2-aminoethyl)-N,N,4-trimethyl-1,3-oxazol-2-amine (CID 83873889) is 5-(2-aminoethyl)-N,N,4-trimethyl-1,3-oxazol-2-amine.
What is the SMILES notation for 5-(2-aminoethyl)-N,N,4-trimethyl-1,3-oxazol-2-amine?
The canonical SMILES for 5-(2-aminoethyl)-N,N,4-trimethyl-1,3-oxazol-2-amine is Cc1nc(N(C)C)oc1CCN.
What is the InChIKey of 5-(2-aminoethyl)-N,N,4-trimethyl-1,3-oxazol-2-amine?
The InChIKey is PCKVRLBIRFADGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-6-7(4-5-9)12-8(10-6)11(2)3/h4-5,9H2,1-3H3.
What are the key properties of 5-(2-aminoethyl)-N,N,4-trimethyl-1,3-oxazol-2-amine?
5-(2-aminoethyl)-N,N,4-trimethyl-1,3-oxazol-2-amine has a molecular weight of 169.23 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-N,N,4-trimethyl-1,3-oxazol-2-amine is sourced from PubChem (CID 83873889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).