N-ethyl-3,4-dimethyl-1,2-oxazol-5-amine

C7H12N2O — CID 18728331

IUPACN-ethyl-3,4-dimethyl-1,2-oxazol-5-amine
SMILESCCNc1onc(C)c1C
InChIInChI=1S/C7H12N2O/c1-4-8-7-5(2)6(3)9-10-7/h8H,4H2,1-3H3
InChIKeyMKBVIRHFGKHIBQ-UHFFFAOYSA-N
MW140.19 g/mol
LogP1.72
Rot. Bonds2

About N-ethyl-3,4-dimethyl-1,2-oxazol-5-amine

N-ethyl-3,4-dimethyl-1,2-oxazol-5-amine (PubChem CID 18728331) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is N-ethyl-3,4-dimethyl-1,2-oxazol-5-amine.

Molecular Properties

Compound NameN-ethyl-3,4-dimethyl-1,2-oxazol-5-amine
PubChem CID18728331
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC NameN-ethyl-3,4-dimethyl-1,2-oxazol-5-amine
SMILESCCNc1onc(C)c1C
InChIInChI=1S/C7H12N2O/c1-4-8-7-5(2)6(3)9-10-7/h8H,4H2,1-3H3
InChIKeyMKBVIRHFGKHIBQ-UHFFFAOYSA-N
XLogP1.72
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,4-dimethyl-1,2-oxazol-5-amine?
The IUPAC name of N-ethyl-3,4-dimethyl-1,2-oxazol-5-amine (CID 18728331) is N-ethyl-3,4-dimethyl-1,2-oxazol-5-amine.
What is the SMILES notation for N-ethyl-3,4-dimethyl-1,2-oxazol-5-amine?
The canonical SMILES for N-ethyl-3,4-dimethyl-1,2-oxazol-5-amine is CCNc1onc(C)c1C.
What is the InChIKey of N-ethyl-3,4-dimethyl-1,2-oxazol-5-amine?
The InChIKey is MKBVIRHFGKHIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-4-8-7-5(2)6(3)9-10-7/h8H,4H2,1-3H3.
What are the key properties of N-ethyl-3,4-dimethyl-1,2-oxazol-5-amine?
N-ethyl-3,4-dimethyl-1,2-oxazol-5-amine has a molecular weight of 140.19 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,4-dimethyl-1,2-oxazol-5-amine is sourced from PubChem (CID 18728331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).