4-methyl-2-[1-(methylamino)ethyl]-1,3-oxazol-5-amine

C7H13N3O — CID 170382636

IUPAC4-methyl-2-[1-(methylamino)ethyl]-1,3-oxazol-5-amine
SMILESCNC(C)c1nc(C)c(N)o1
InChIInChI=1S/C7H13N3O/c1-4-6(8)11-7(10-4)5(2)9-3/h5,9H,8H2,1-3H3
InChIKeyNYBXAZAZHKQKPV-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.85
Rot. Bonds2

About 4-methyl-2-[1-(methylamino)ethyl]-1,3-oxazol-5-amine

4-methyl-2-[1-(methylamino)ethyl]-1,3-oxazol-5-amine (PubChem CID 170382636) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is 4-methyl-2-[1-(methylamino)ethyl]-1,3-oxazol-5-amine.

Molecular Properties

Compound Name4-methyl-2-[1-(methylamino)ethyl]-1,3-oxazol-5-amine
PubChem CID170382636
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name4-methyl-2-[1-(methylamino)ethyl]-1,3-oxazol-5-amine
SMILESCNC(C)c1nc(C)c(N)o1
InChIInChI=1S/C7H13N3O/c1-4-6(8)11-7(10-4)5(2)9-3/h5,9H,8H2,1-3H3
InChIKeyNYBXAZAZHKQKPV-UHFFFAOYSA-N
XLogP0.85
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[1-(methylamino)ethyl]-1,3-oxazol-5-amine?
The IUPAC name of 4-methyl-2-[1-(methylamino)ethyl]-1,3-oxazol-5-amine (CID 170382636) is 4-methyl-2-[1-(methylamino)ethyl]-1,3-oxazol-5-amine.
What is the SMILES notation for 4-methyl-2-[1-(methylamino)ethyl]-1,3-oxazol-5-amine?
The canonical SMILES for 4-methyl-2-[1-(methylamino)ethyl]-1,3-oxazol-5-amine is CNC(C)c1nc(C)c(N)o1.
What is the InChIKey of 4-methyl-2-[1-(methylamino)ethyl]-1,3-oxazol-5-amine?
The InChIKey is NYBXAZAZHKQKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c1-4-6(8)11-7(10-4)5(2)9-3/h5,9H,8H2,1-3H3.
What are the key properties of 4-methyl-2-[1-(methylamino)ethyl]-1,3-oxazol-5-amine?
4-methyl-2-[1-(methylamino)ethyl]-1,3-oxazol-5-amine has a molecular weight of 155.20 g/mol, XLogP of 0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[1-(methylamino)ethyl]-1,3-oxazol-5-amine is sourced from PubChem (CID 170382636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).