2,3-dihydro-1,4-benzoxazin-4-yl-[3-(1-phenylethyl)-1,2-oxazol-5-yl]methanone

C20H18N2O3 — CID 45187466

IUPAC2,3-dihydro-1,4-benzoxazin-4-yl-[3-(1-phenylethyl)-1,2-oxazol-5-yl]methanone
SMILESCC(c1ccccc1)c1cc(C(=O)N2CCOc3ccccc32)on1
InChIInChI=1S/C20H18N2O3/c1-14(15-7-3-2-4-8-15)16-13-19(25-21-16)20(23)22-11-12-24-18-10-6-5-9-17(18)22/h2-10,13-14H,11-12H2,1H3
InChIKeyNSSPGNFETWQYLO-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.87
Rot. Bonds3

About 2,3-dihydro-1,4-benzoxazin-4-yl-[3-(1-phenylethyl)-1,2-oxazol-5-yl]methanone

2,3-dihydro-1,4-benzoxazin-4-yl-[3-(1-phenylethyl)-1,2-oxazol-5-yl]methanone (PubChem CID 45187466) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzoxazin-4-yl-[3-(1-phenylethyl)-1,2-oxazol-5-yl]methanone.

Molecular Properties

Compound Name2,3-dihydro-1,4-benzoxazin-4-yl-[3-(1-phenylethyl)-1,2-oxazol-5-yl]methanone
PubChem CID45187466
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC Name2,3-dihydro-1,4-benzoxazin-4-yl-[3-(1-phenylethyl)-1,2-oxazol-5-yl]methanone
SMILESCC(c1ccccc1)c1cc(C(=O)N2CCOc3ccccc32)on1
InChIInChI=1S/C20H18N2O3/c1-14(15-7-3-2-4-8-15)16-13-19(25-21-16)20(23)22-11-12-24-18-10-6-5-9-17(18)22/h2-10,13-14H,11-12H2,1H3
InChIKeyNSSPGNFETWQYLO-UHFFFAOYSA-N
XLogP3.87
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dihydro-1,4-benzoxazin-4-yl-[3-[(2S)-2-phenylpropyl]-1,2-oxazol-5-yl]methanone
CID 42418575
2,3-dihydro-1,4-benzoxazin-4-yl-[5-(3,4-dimethylphenyl)-1,2-oxazol-3-yl]methanone
CID 39868317
3-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-methyl-3-oxopropanoic acid
CID 114897332
3,4-dihydro-2H-1,5-benzoxazepin-5-yl-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanone
CID 167798280
2,3-dihydro-1,4-benzoxazin-4-yl-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone
CID 43074301
3-amino-1-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-phenylpropan-1-one
CID 62876977
5-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)pyridine-2-carboxylic acid
CID 117213074
2-[[3-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)-4-pyridinyl]sulfanyl]propanoic acid
CID 171351668
2,3-dihydro-1,4-benzoxazin-4-yl-[5-(4-nitrophenyl)-3-pyridinyl]methanone
CID 163390030
2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl-(3-phenylmethoxy-1,2-oxazol-5-yl)methanone
CID 66936639
2,3-dihydro-1,4-benzoxazin-4-yl-(3-methylfuran-2-yl)methanone
CID 47182100
(5-amino-2,4-dimethylphenyl)-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone
CID 102705146

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-benzoxazin-4-yl-[3-(1-phenylethyl)-1,2-oxazol-5-yl]methanone?
The IUPAC name of 2,3-dihydro-1,4-benzoxazin-4-yl-[3-(1-phenylethyl)-1,2-oxazol-5-yl]methanone (CID 45187466) is 2,3-dihydro-1,4-benzoxazin-4-yl-[3-(1-phenylethyl)-1,2-oxazol-5-yl]methanone.
What is the SMILES notation for 2,3-dihydro-1,4-benzoxazin-4-yl-[3-(1-phenylethyl)-1,2-oxazol-5-yl]methanone?
The canonical SMILES for 2,3-dihydro-1,4-benzoxazin-4-yl-[3-(1-phenylethyl)-1,2-oxazol-5-yl]methanone is CC(c1ccccc1)c1cc(C(=O)N2CCOc3ccccc32)on1.
What is the InChIKey of 2,3-dihydro-1,4-benzoxazin-4-yl-[3-(1-phenylethyl)-1,2-oxazol-5-yl]methanone?
The InChIKey is NSSPGNFETWQYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3/c1-14(15-7-3-2-4-8-15)16-13-19(25-21-16)20(23)22-11-12-24-18-10-6-5-9-17(18)22/h2-10,13-14H,11-12H2,1H3.
What are the key properties of 2,3-dihydro-1,4-benzoxazin-4-yl-[3-(1-phenylethyl)-1,2-oxazol-5-yl]methanone?
2,3-dihydro-1,4-benzoxazin-4-yl-[3-(1-phenylethyl)-1,2-oxazol-5-yl]methanone has a molecular weight of 334.38 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,4-benzoxazin-4-yl-[3-(1-phenylethyl)-1,2-oxazol-5-yl]methanone is sourced from PubChem (CID 45187466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).