(8-tert-butyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(2-cyclobutyl-1,3-oxazol-4-yl)methanone

C20H24N2O3 — CID 139011277

IUPAC(8-tert-butyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(2-cyclobutyl-1,3-oxazol-4-yl)methanone
SMILESCC(C)(C)c1cccc2c1OCCN2C(=O)c1coc(C2CCC2)n1
InChIInChI=1S/C20H24N2O3/c1-20(2,3)14-8-5-9-16-17(14)24-11-10-22(16)19(23)15-12-25-18(21-15)13-6-4-7-13/h5,8-9,12-13H,4,6-7,10-11H2,1-3H3
InChIKeyLEOIOCPTDWIQJT-UHFFFAOYSA-N
MW340.42 g/mol
LogP4.28
Rot. Bonds2

About (8-tert-butyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(2-cyclobutyl-1,3-oxazol-4-yl)methanone

(8-tert-butyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(2-cyclobutyl-1,3-oxazol-4-yl)methanone (PubChem CID 139011277) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is (8-tert-butyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(2-cyclobutyl-1,3-oxazol-4-yl)methanone.

Molecular Properties

Compound Name(8-tert-butyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(2-cyclobutyl-1,3-oxazol-4-yl)methanone
PubChem CID139011277
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name(8-tert-butyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(2-cyclobutyl-1,3-oxazol-4-yl)methanone
SMILESCC(C)(C)c1cccc2c1OCCN2C(=O)c1coc(C2CCC2)n1
InChIInChI=1S/C20H24N2O3/c1-20(2,3)14-8-5-9-16-17(14)24-11-10-22(16)19(23)15-12-25-18(21-15)13-6-4-7-13/h5,8-9,12-13H,4,6-7,10-11H2,1-3H3
InChIKeyLEOIOCPTDWIQJT-UHFFFAOYSA-N
XLogP4.28
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

2-(8-tert-butyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)pyridine-4-carboxylic acid
CID 122056416
2-cyclobutyl-1,3-oxazole-4-carboxylic acid
CID 53399655
(2-cyclobutyl-1,3-oxazol-4-yl)-(8-fluoro-3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 138030893
2-(1-tert-butylpiperidin-4-yl)-1,3-oxazole-4-carboxylic acid
CID 59035438
(7-chloro-1-methyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-[2-(oxan-4-yl)-1,3-oxazol-4-yl]methanone
CID 127907855
(2,2-dimethyl-3H-1,4-benzoxazin-4-yl)-[2-(oxan-4-yl)-1,3-oxazol-4-yl]methanone
CID 127907878
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-[2-(oxan-4-yl)-1,3-oxazol-4-yl]methanone
CID 127895119
2-(oxan-3-yl)-1,3-oxazole-4-carboxylic acid
CID 63014929
4-(2-methylcyclopentanecarbonyl)-2,3-dihydro-1,4-benzoxazine-8-carboxylic acid
CID 107175852
(2-cyclononyl-1,3-oxazol-4-yl)-phenylmethanone
CID 138501083
2-cyclobutyl-N-[4-[(2-cyclobutyl-1,3-oxazole-4-carbonyl)amino]cyclohexyl]-1,3-oxazole-4-carboxamide
CID 167759305
2-cyclobutyl-N-(2-oxo-1-pyridinyl)-1,3-oxazole-4-carboxamide
CID 166233624

Frequently Asked Questions

What is the IUPAC name of (8-tert-butyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(2-cyclobutyl-1,3-oxazol-4-yl)methanone?
The IUPAC name of (8-tert-butyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(2-cyclobutyl-1,3-oxazol-4-yl)methanone (CID 139011277) is (8-tert-butyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(2-cyclobutyl-1,3-oxazol-4-yl)methanone.
What is the SMILES notation for (8-tert-butyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(2-cyclobutyl-1,3-oxazol-4-yl)methanone?
The canonical SMILES for (8-tert-butyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(2-cyclobutyl-1,3-oxazol-4-yl)methanone is CC(C)(C)c1cccc2c1OCCN2C(=O)c1coc(C2CCC2)n1.
What is the InChIKey of (8-tert-butyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(2-cyclobutyl-1,3-oxazol-4-yl)methanone?
The InChIKey is LEOIOCPTDWIQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-20(2,3)14-8-5-9-16-17(14)24-11-10-22(16)19(23)15-12-25-18(21-15)13-6-4-7-13/h5,8-9,12-13H,4,6-7,10-11H2,1-3H3.
What are the key properties of (8-tert-butyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(2-cyclobutyl-1,3-oxazol-4-yl)methanone?
(8-tert-butyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(2-cyclobutyl-1,3-oxazol-4-yl)methanone has a molecular weight of 340.42 g/mol, XLogP of 4.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8-tert-butyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(2-cyclobutyl-1,3-oxazol-4-yl)methanone is sourced from PubChem (CID 139011277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).