(2,4-dimethyl-1,3-oxazol-5-yl)-(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone

C15H16N2O3 — CID 71924779

IUPAC(2,4-dimethyl-1,3-oxazol-5-yl)-(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone
SMILESCc1nc(C)c(C(=O)N2c3ccccc3OCC2C)o1
InChIInChI=1S/C15H16N2O3/c1-9-8-19-13-7-5-4-6-12(13)17(9)15(18)14-10(2)16-11(3)20-14/h4-7,9H,8H2,1-3H3
InChIKeyMOLPMYBJVLCKHR-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.72
Rot. Bonds1

About (2,4-dimethyl-1,3-oxazol-5-yl)-(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone

(2,4-dimethyl-1,3-oxazol-5-yl)-(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone (PubChem CID 71924779) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is (2,4-dimethyl-1,3-oxazol-5-yl)-(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone.

Molecular Properties

Compound Name(2,4-dimethyl-1,3-oxazol-5-yl)-(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone
PubChem CID71924779
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name(2,4-dimethyl-1,3-oxazol-5-yl)-(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone
SMILESCc1nc(C)c(C(=O)N2c3ccccc3OCC2C)o1
InChIInChI=1S/C15H16N2O3/c1-9-8-19-13-7-5-4-6-12(13)17(9)15(18)14-10(2)16-11(3)20-14/h4-7,9H,8H2,1-3H3
InChIKeyMOLPMYBJVLCKHR-UHFFFAOYSA-N
XLogP2.72
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2,4-dimethyl-1,3-oxazol-5-yl)-(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone with MolForge

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Related Compounds

(2,6-dimethyl-3-pyridinyl)-(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone
CID 71987114
3-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxylic acid
CID 152767426
(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(3-methyl-4-morpholin-4-ylphenyl)methanone
CID 138039161
N,N,2-trimethyl-5-[(3R)-3-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl]furan-3-sulfonamide
CID 97029245
N,N,2-trimethyl-5-(3-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)furan-3-sulfonamide
CID 91644275
(4-ethylthiadiazol-5-yl)-[(3R)-3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]methanone
CID 95898926
[2-(methoxymethyl)-1,3-thiazol-4-yl]-[(3S)-3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]methanone
CID 95898986
1-[(3S)-3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]-2-(4-methylphenyl)ethanone
CID 95898964
[3-[(dimethylamino)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone;dihydrochloride
CID 118742107
(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(oxolan-3-yl)methanone
CID 71987117
[1-(4-fluoro-2-methylphenyl)triazol-4-yl]-(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone
CID 126773291
(2,4-dimethyl-1,3-oxazol-5-yl)-(4-methyl-2,3-dihydroindol-1-yl)methanone
CID 71866904

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethyl-1,3-oxazol-5-yl)-(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone?
The IUPAC name of (2,4-dimethyl-1,3-oxazol-5-yl)-(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone (CID 71924779) is (2,4-dimethyl-1,3-oxazol-5-yl)-(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone.
What is the SMILES notation for (2,4-dimethyl-1,3-oxazol-5-yl)-(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone?
The canonical SMILES for (2,4-dimethyl-1,3-oxazol-5-yl)-(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone is Cc1nc(C)c(C(=O)N2c3ccccc3OCC2C)o1.
What is the InChIKey of (2,4-dimethyl-1,3-oxazol-5-yl)-(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone?
The InChIKey is MOLPMYBJVLCKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-9-8-19-13-7-5-4-6-12(13)17(9)15(18)14-10(2)16-11(3)20-14/h4-7,9H,8H2,1-3H3.
What are the key properties of (2,4-dimethyl-1,3-oxazol-5-yl)-(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone?
(2,4-dimethyl-1,3-oxazol-5-yl)-(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone has a molecular weight of 272.30 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethyl-1,3-oxazol-5-yl)-(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone is sourced from PubChem (CID 71924779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).