N-butyl-N-ethyl-1,3-oxazol-2-amine

C9H16N2O — CID 69315345

IUPACN-butyl-N-ethyl-1,3-oxazol-2-amine
SMILESCCCCN(CC)c1ncco1
InChIInChI=1S/C9H16N2O/c1-3-5-7-11(4-2)9-10-6-8-12-9/h6,8H,3-5,7H2,1-2H3
InChIKeyTZZPQTYHYCEUCS-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.30
Rot. Bonds5

About N-butyl-N-ethyl-1,3-oxazol-2-amine

N-butyl-N-ethyl-1,3-oxazol-2-amine (PubChem CID 69315345) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is N-butyl-N-ethyl-1,3-oxazol-2-amine.

Molecular Properties

Compound NameN-butyl-N-ethyl-1,3-oxazol-2-amine
PubChem CID69315345
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC NameN-butyl-N-ethyl-1,3-oxazol-2-amine
SMILESCCCCN(CC)c1ncco1
InChIInChI=1S/C9H16N2O/c1-3-5-7-11(4-2)9-10-6-8-12-9/h6,8H,3-5,7H2,1-2H3
InChIKeyTZZPQTYHYCEUCS-UHFFFAOYSA-N
XLogP2.30
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-ethyl-1,3-oxazol-2-amine?
The IUPAC name of N-butyl-N-ethyl-1,3-oxazol-2-amine (CID 69315345) is N-butyl-N-ethyl-1,3-oxazol-2-amine.
What is the SMILES notation for N-butyl-N-ethyl-1,3-oxazol-2-amine?
The canonical SMILES for N-butyl-N-ethyl-1,3-oxazol-2-amine is CCCCN(CC)c1ncco1.
What is the InChIKey of N-butyl-N-ethyl-1,3-oxazol-2-amine?
The InChIKey is TZZPQTYHYCEUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-3-5-7-11(4-2)9-10-6-8-12-9/h6,8H,3-5,7H2,1-2H3.
What are the key properties of N-butyl-N-ethyl-1,3-oxazol-2-amine?
N-butyl-N-ethyl-1,3-oxazol-2-amine has a molecular weight of 168.24 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-ethyl-1,3-oxazol-2-amine is sourced from PubChem (CID 69315345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).