2-butyl-8-(1,3-oxazol-2-yl)-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide

C16H19N3O3 — CID 140503382

IUPAC2-butyl-8-(1,3-oxazol-2-yl)-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide
SMILESCCCCC1CNc2cc(C(N)=O)cc(-c3ncco3)c2O1
InChIInChI=1S/C16H19N3O3/c1-2-3-4-11-9-19-13-8-10(15(17)20)7-12(14(13)22-11)16-18-5-6-21-16/h5-8,11,19H,2-4,9H2,1H3,(H2,17,20)
InChIKeyLLXJESGUJNQUPX-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.80
Rot. Bonds5

About 2-butyl-8-(1,3-oxazol-2-yl)-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide

2-butyl-8-(1,3-oxazol-2-yl)-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide (PubChem CID 140503382) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 2-butyl-8-(1,3-oxazol-2-yl)-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide.

Molecular Properties

Compound Name2-butyl-8-(1,3-oxazol-2-yl)-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide
PubChem CID140503382
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name2-butyl-8-(1,3-oxazol-2-yl)-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide
SMILESCCCCC1CNc2cc(C(N)=O)cc(-c3ncco3)c2O1
InChIInChI=1S/C16H19N3O3/c1-2-3-4-11-9-19-13-8-10(15(17)20)7-12(14(13)22-11)16-18-5-6-21-16/h5-8,11,19H,2-4,9H2,1H3,(H2,17,20)
InChIKeyLLXJESGUJNQUPX-UHFFFAOYSA-N
XLogP2.80
TPSA90.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-8-(1,3-oxazol-2-yl)-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide?
The IUPAC name of 2-butyl-8-(1,3-oxazol-2-yl)-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide (CID 140503382) is 2-butyl-8-(1,3-oxazol-2-yl)-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide.
What is the SMILES notation for 2-butyl-8-(1,3-oxazol-2-yl)-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide?
The canonical SMILES for 2-butyl-8-(1,3-oxazol-2-yl)-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide is CCCCC1CNc2cc(C(N)=O)cc(-c3ncco3)c2O1.
What is the InChIKey of 2-butyl-8-(1,3-oxazol-2-yl)-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide?
The InChIKey is LLXJESGUJNQUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-2-3-4-11-9-19-13-8-10(15(17)20)7-12(14(13)22-11)16-18-5-6-21-16/h5-8,11,19H,2-4,9H2,1H3,(H2,17,20).
What are the key properties of 2-butyl-8-(1,3-oxazol-2-yl)-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide?
2-butyl-8-(1,3-oxazol-2-yl)-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-8-(1,3-oxazol-2-yl)-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide is sourced from PubChem (CID 140503382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).