2-ethylhexanamide;3H-[1,3]oxazolo[4,5-b]pyridin-2-one

C14H21N3O3 — CID 131728559

IUPAC2-ethylhexanamide;3H-[1,3]oxazolo[4,5-b]pyridin-2-one
SMILESCCCCC(CC)C(N)=O.O=c1[nH]c2ncccc2o1
InChIInChI=1S/C8H17NO.C6H4N2O2/c1-3-5-6-7(4-2)8(9)10;9-6-8-5-4(10-6)2-1-3-7-5/h7H,3-6H2,1-2H3,(H2,9,10);1-3H,(H,7,8,9)
InChIKeyNBWLKGZVGLSCON-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.20
Rot. Bonds5

About 2-ethylhexanamide;3H-[1,3]oxazolo[4,5-b]pyridin-2-one

2-ethylhexanamide;3H-[1,3]oxazolo[4,5-b]pyridin-2-one (PubChem CID 131728559) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-ethylhexanamide;3H-[1,3]oxazolo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name2-ethylhexanamide;3H-[1,3]oxazolo[4,5-b]pyridin-2-one
PubChem CID131728559
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name2-ethylhexanamide;3H-[1,3]oxazolo[4,5-b]pyridin-2-one
SMILESCCCCC(CC)C(N)=O.O=c1[nH]c2ncccc2o1
InChIInChI=1S/C8H17NO.C6H4N2O2/c1-3-5-6-7(4-2)8(9)10;9-6-8-5-4(10-6)2-1-3-7-5/h7H,3-6H2,1-2H3,(H2,9,10);1-3H,(H,7,8,9)
InChIKeyNBWLKGZVGLSCON-UHFFFAOYSA-N
XLogP2.20
TPSA101.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

CID 67884406
CID 67884406
lithium;2-ethylhexanamide;hydride
CID 173043498
quinolin-8-yl 2-ethylhexanoate
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1-(2-chloro-3-pyridinyl)-2-ethylhexan-1-one
CID 91608208
N-(3-chloro-2-pyridinyl)-2-ethylhexanamide
CID 103943579
azane;2-ethyldodecanamide
CID 174462460
1,3-dihydropyrrolo[2,3-b]pyridin-2-one;3H-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 161014056
2-propylhexanamide;pyridine
CID 67753148
[2-(2-ethylhexanoyloxy)phenyl] 2-ethylhexanoate
CID 122421017
2-(octan-4-ylamino)pyridine-3-carboxamide
CID 113249998
2-ethyl-N-quinolin-8-ylundecanamide
CID 72712401
phenyl 2-ethylhexanoate
CID 11106897

Frequently Asked Questions

What is the IUPAC name of 2-ethylhexanamide;3H-[1,3]oxazolo[4,5-b]pyridin-2-one?
The IUPAC name of 2-ethylhexanamide;3H-[1,3]oxazolo[4,5-b]pyridin-2-one (CID 131728559) is 2-ethylhexanamide;3H-[1,3]oxazolo[4,5-b]pyridin-2-one.
What is the SMILES notation for 2-ethylhexanamide;3H-[1,3]oxazolo[4,5-b]pyridin-2-one?
The canonical SMILES for 2-ethylhexanamide;3H-[1,3]oxazolo[4,5-b]pyridin-2-one is CCCCC(CC)C(N)=O.O=c1[nH]c2ncccc2o1.
What is the InChIKey of 2-ethylhexanamide;3H-[1,3]oxazolo[4,5-b]pyridin-2-one?
The InChIKey is NBWLKGZVGLSCON-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO.C6H4N2O2/c1-3-5-6-7(4-2)8(9)10;9-6-8-5-4(10-6)2-1-3-7-5/h7H,3-6H2,1-2H3,(H2,9,10);1-3H,(H,7,8,9).
What are the key properties of 2-ethylhexanamide;3H-[1,3]oxazolo[4,5-b]pyridin-2-one?
2-ethylhexanamide;3H-[1,3]oxazolo[4,5-b]pyridin-2-one has a molecular weight of 279.34 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexanamide;3H-[1,3]oxazolo[4,5-b]pyridin-2-one is sourced from PubChem (CID 131728559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).