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

C17H14N2O3S — CID 51065302

IUPAC(2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
SMILESCC1CN(C(=O)c2cc(-c3cccs3)on2)c2ccccc2O1
InChIInChI=1S/C17H14N2O3S/c1-11-10-19(13-5-2-3-6-14(13)21-11)17(20)12-9-15(22-18-12)16-7-4-8-23-16/h2-9,11H,10H2,1H3
InChIKeyFMRWBNWHXIDIQV-UHFFFAOYSA-N
MW326.38 g/mol
LogP3.83
Rot. Bonds2

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

(2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone (PubChem CID 51065302) has the molecular formula C17H14N2O3S and a molecular weight of 326.38 g/mol. Its IUPAC name is (2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name(2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
PubChem CID51065302
Molecular FormulaC17H14N2O3S
Molecular Weight326.38 g/mol
Exact Mass326.07
IUPAC Name(2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
SMILESCC1CN(C(=O)c2cc(-c3cccs3)on2)c2ccccc2O1
InChIInChI=1S/C17H14N2O3S/c1-11-10-19(13-5-2-3-6-14(13)21-11)17(20)12-9-15(22-18-12)16-7-4-8-23-16/h2-9,11H,10H2,1H3
InChIKeyFMRWBNWHXIDIQV-UHFFFAOYSA-N
XLogP3.83
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone?
The IUPAC name of (2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone (CID 51065302) is (2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for (2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for (2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone is CC1CN(C(=O)c2cc(-c3cccs3)on2)c2ccccc2O1.
What is the InChIKey of (2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone?
The InChIKey is FMRWBNWHXIDIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3S/c1-11-10-19(13-5-2-3-6-14(13)21-11)17(20)12-9-15(22-18-12)16-7-4-8-23-16/h2-9,11H,10H2,1H3.
What are the key properties of (2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone?
(2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone has a molecular weight of 326.38 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 51065302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).