(2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(2,4-dimethyl-1,3-oxazol-5-yl)methanone

C16H18N2O3 — CID 71863520

IUPAC(2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(2,4-dimethyl-1,3-oxazol-5-yl)methanone
SMILESCc1ccc2c(c1)OC(C)CN2C(=O)c1oc(C)nc1C
InChIInChI=1S/C16H18N2O3/c1-9-5-6-13-14(7-9)20-10(2)8-18(13)16(19)15-11(3)17-12(4)21-15/h5-7,10H,8H2,1-4H3
InChIKeyXUZJDBNUPUTLJE-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.03
Rot. Bonds1

About (2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(2,4-dimethyl-1,3-oxazol-5-yl)methanone

(2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(2,4-dimethyl-1,3-oxazol-5-yl)methanone (PubChem CID 71863520) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is (2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(2,4-dimethyl-1,3-oxazol-5-yl)methanone.

Molecular Properties

Compound Name(2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(2,4-dimethyl-1,3-oxazol-5-yl)methanone
PubChem CID71863520
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name(2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(2,4-dimethyl-1,3-oxazol-5-yl)methanone
SMILESCc1ccc2c(c1)OC(C)CN2C(=O)c1oc(C)nc1C
InChIInChI=1S/C16H18N2O3/c1-9-5-6-13-14(7-9)20-10(2)8-18(13)16(19)15-11(3)17-12(4)21-15/h5-7,10H,8H2,1-4H3
InChIKeyXUZJDBNUPUTLJE-UHFFFAOYSA-N
XLogP3.03
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(2,4-dimethyl-1,3-oxazol-5-yl)methanone?
The IUPAC name of (2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(2,4-dimethyl-1,3-oxazol-5-yl)methanone (CID 71863520) is (2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(2,4-dimethyl-1,3-oxazol-5-yl)methanone.
What is the SMILES notation for (2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(2,4-dimethyl-1,3-oxazol-5-yl)methanone?
The canonical SMILES for (2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(2,4-dimethyl-1,3-oxazol-5-yl)methanone is Cc1ccc2c(c1)OC(C)CN2C(=O)c1oc(C)nc1C.
What is the InChIKey of (2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(2,4-dimethyl-1,3-oxazol-5-yl)methanone?
The InChIKey is XUZJDBNUPUTLJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-9-5-6-13-14(7-9)20-10(2)8-18(13)16(19)15-11(3)17-12(4)21-15/h5-7,10H,8H2,1-4H3.
What are the key properties of (2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(2,4-dimethyl-1,3-oxazol-5-yl)methanone?
(2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(2,4-dimethyl-1,3-oxazol-5-yl)methanone has a molecular weight of 286.33 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(2,4-dimethyl-1,3-oxazol-5-yl)methanone is sourced from PubChem (CID 71863520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).