2,3-dihydro-1,4-benzoxazin-4-yl-[3-[(1R)-1-phenylethyl]imidazol-4-yl]methanone

C20H19N3O2 — CID 155669595

IUPAC2,3-dihydro-1,4-benzoxazin-4-yl-[3-[(1R)-1-phenylethyl]imidazol-4-yl]methanone
SMILESC[C@H](c1ccccc1)n1cncc1C(=O)N1CCOc2ccccc21
InChIInChI=1S/C20H19N3O2/c1-15(16-7-3-2-4-8-16)23-14-21-13-18(23)20(24)22-11-12-25-19-10-6-5-9-17(19)22/h2-10,13-15H,11-12H2,1H3/t15-/m1/s1
InChIKeyRSBXTYIMFCCMNK-OAHLLOKOSA-N
MW333.39 g/mol
LogP3.53
Rot. Bonds3

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

2,3-dihydro-1,4-benzoxazin-4-yl-[3-[(1R)-1-phenylethyl]imidazol-4-yl]methanone (PubChem CID 155669595) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzoxazin-4-yl-[3-[(1R)-1-phenylethyl]imidazol-4-yl]methanone.

Molecular Properties

Compound Name2,3-dihydro-1,4-benzoxazin-4-yl-[3-[(1R)-1-phenylethyl]imidazol-4-yl]methanone
PubChem CID155669595
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name2,3-dihydro-1,4-benzoxazin-4-yl-[3-[(1R)-1-phenylethyl]imidazol-4-yl]methanone
SMILESC[C@H](c1ccccc1)n1cncc1C(=O)N1CCOc2ccccc21
InChIInChI=1S/C20H19N3O2/c1-15(16-7-3-2-4-8-16)23-14-21-13-18(23)20(24)22-11-12-25-19-10-6-5-9-17(19)22/h2-10,13-15H,11-12H2,1H3/t15-/m1/s1
InChIKeyRSBXTYIMFCCMNK-OAHLLOKOSA-N
XLogP3.53
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-benzoxazin-4-yl-[3-[(1R)-1-phenylethyl]imidazol-4-yl]methanone?
The IUPAC name of 2,3-dihydro-1,4-benzoxazin-4-yl-[3-[(1R)-1-phenylethyl]imidazol-4-yl]methanone (CID 155669595) is 2,3-dihydro-1,4-benzoxazin-4-yl-[3-[(1R)-1-phenylethyl]imidazol-4-yl]methanone.
What is the SMILES notation for 2,3-dihydro-1,4-benzoxazin-4-yl-[3-[(1R)-1-phenylethyl]imidazol-4-yl]methanone?
The canonical SMILES for 2,3-dihydro-1,4-benzoxazin-4-yl-[3-[(1R)-1-phenylethyl]imidazol-4-yl]methanone is C[C@H](c1ccccc1)n1cncc1C(=O)N1CCOc2ccccc21.
What is the InChIKey of 2,3-dihydro-1,4-benzoxazin-4-yl-[3-[(1R)-1-phenylethyl]imidazol-4-yl]methanone?
The InChIKey is RSBXTYIMFCCMNK-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-15(16-7-3-2-4-8-16)23-14-21-13-18(23)20(24)22-11-12-25-19-10-6-5-9-17(19)22/h2-10,13-15H,11-12H2,1H3/t15-/m1/s1.
What are the key properties of 2,3-dihydro-1,4-benzoxazin-4-yl-[3-[(1R)-1-phenylethyl]imidazol-4-yl]methanone?
2,3-dihydro-1,4-benzoxazin-4-yl-[3-[(1R)-1-phenylethyl]imidazol-4-yl]methanone has a molecular weight of 333.39 g/mol, XLogP of 3.53, 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-[(1R)-1-phenylethyl]imidazol-4-yl]methanone is sourced from PubChem (CID 155669595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).