N-(5-tert-butyl-1,2-oxazol-3-yl)-2-ethylhexanamide

C15H26N2O2 — CID 45153846

IUPACN-(5-tert-butyl-1,2-oxazol-3-yl)-2-ethylhexanamide
SMILESCCCCC(CC)C(=O)Nc1cc(C(C)(C)C)on1
InChIInChI=1S/C15H26N2O2/c1-6-8-9-11(7-2)14(18)16-13-10-12(19-17-13)15(3,4)5/h10-11H,6-9H2,1-5H3,(H,16,17,18)
InChIKeyADNQSRIWBSCHNM-UHFFFAOYSA-N
MW266.38 g/mol
LogP4.13
Rot. Bonds6

About N-(5-tert-butyl-1,2-oxazol-3-yl)-2-ethylhexanamide

N-(5-tert-butyl-1,2-oxazol-3-yl)-2-ethylhexanamide (PubChem CID 45153846) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is N-(5-tert-butyl-1,2-oxazol-3-yl)-2-ethylhexanamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1,2-oxazol-3-yl)-2-ethylhexanamide
PubChem CID45153846
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC NameN-(5-tert-butyl-1,2-oxazol-3-yl)-2-ethylhexanamide
SMILESCCCCC(CC)C(=O)Nc1cc(C(C)(C)C)on1
InChIInChI=1S/C15H26N2O2/c1-6-8-9-11(7-2)14(18)16-13-10-12(19-17-13)15(3,4)5/h10-11H,6-9H2,1-5H3,(H,16,17,18)
InChIKeyADNQSRIWBSCHNM-UHFFFAOYSA-N
XLogP4.13
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-ethylhexanamide?
The IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-ethylhexanamide (CID 45153846) is N-(5-tert-butyl-1,2-oxazol-3-yl)-2-ethylhexanamide.
What is the SMILES notation for N-(5-tert-butyl-1,2-oxazol-3-yl)-2-ethylhexanamide?
The canonical SMILES for N-(5-tert-butyl-1,2-oxazol-3-yl)-2-ethylhexanamide is CCCCC(CC)C(=O)Nc1cc(C(C)(C)C)on1.
What is the InChIKey of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-ethylhexanamide?
The InChIKey is ADNQSRIWBSCHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-6-8-9-11(7-2)14(18)16-13-10-12(19-17-13)15(3,4)5/h10-11H,6-9H2,1-5H3,(H,16,17,18).
What are the key properties of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-ethylhexanamide?
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-ethylhexanamide has a molecular weight of 266.38 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1,2-oxazol-3-yl)-2-ethylhexanamide is sourced from PubChem (CID 45153846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).