(2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone

C19H17N3O3 — CID 122137421

IUPAC(2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone
SMILESCCC1CN(C(=O)c2cc(-c3cccnc3)on2)c2ccccc2O1
InChIInChI=1S/C19H17N3O3/c1-2-14-12-22(16-7-3-4-8-17(16)24-14)19(23)15-10-18(25-21-15)13-6-5-9-20-11-13/h3-11,14H,2,12H2,1H3
InChIKeyYNEQTUUPGMLOQA-UHFFFAOYSA-N
MW335.36 g/mol
LogP3.55
Rot. Bonds3

About (2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone

(2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone (PubChem CID 122137421) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is (2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name(2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone
PubChem CID122137421
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name(2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone
SMILESCCC1CN(C(=O)c2cc(-c3cccnc3)on2)c2ccccc2O1
InChIInChI=1S/C19H17N3O3/c1-2-14-12-22(16-7-3-4-8-17(16)24-14)19(23)15-10-18(25-21-15)13-6-5-9-20-11-13/h3-11,14H,2,12H2,1H3
InChIKeyYNEQTUUPGMLOQA-UHFFFAOYSA-N
XLogP3.55
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Launch Full Analysis

Related Compounds

[(2S)-6-methoxy-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone
CID 99816982
[5-(4-bromophenyl)-1,2-oxazol-3-yl]-(2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone
CID 51065301
(4-methylpiperazin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone
CID 17253092
[4-(2-ethoxyphenyl)piperazin-1-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone
CID 46458534
N-ethyl-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 170210039
[(2S)-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]-(6-pyrazol-1-yl-2-pyridinyl)methanone
CID 99816942
phenyl-[4-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methanone
CID 166181719
(4,6-dimethoxypyrimidin-2-yl)-(2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone
CID 136561116
[3-(fluoromethyl)pyrrolidin-1-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone
CID 163351427
(3-methylpiperazin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone;dihydrochloride
CID 119579801
1-[[1-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)azetidin-3-yl]methyl]pyrrolidine-2,5-dione
CID 126851197
(5-pyridin-3-yl-1,2-oxazol-3-yl)-thiomorpholin-4-ylmethanone
CID 87019769

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone?
The IUPAC name of (2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone (CID 122137421) is (2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for (2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for (2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone is CCC1CN(C(=O)c2cc(-c3cccnc3)on2)c2ccccc2O1.
What is the InChIKey of (2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone?
The InChIKey is YNEQTUUPGMLOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-2-14-12-22(16-7-3-4-8-17(16)24-14)19(23)15-10-18(25-21-15)13-6-5-9-20-11-13/h3-11,14H,2,12H2,1H3.
What are the key properties of (2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone?
(2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone has a molecular weight of 335.36 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 122137421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).