6-[2-(cyclohexylamino)-1,3-benzoxazol-5-yl]-1,4-dihydro-3,1-benzoxazin-2-one

C21H21N3O3 — CID 70903063

IUPAC6-[2-(cyclohexylamino)-1,3-benzoxazol-5-yl]-1,4-dihydro-3,1-benzoxazin-2-one
SMILESO=C1Nc2ccc(-c3ccc4oc(NC5CCCCC5)nc4c3)cc2CO1
InChIInChI=1S/C21H21N3O3/c25-21-24-17-8-6-13(10-15(17)12-26-21)14-7-9-19-18(11-14)23-20(27-19)22-16-4-2-1-3-5-16/h6-11,16H,1-5,12H2,(H,22,23)(H,24,25)
InChIKeyQUAKZSWXJLKMPJ-UHFFFAOYSA-N
MW363.42 g/mol
LogP5.30
Rot. Bonds3

About 6-[2-(cyclohexylamino)-1,3-benzoxazol-5-yl]-1,4-dihydro-3,1-benzoxazin-2-one

6-[2-(cyclohexylamino)-1,3-benzoxazol-5-yl]-1,4-dihydro-3,1-benzoxazin-2-one (PubChem CID 70903063) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 6-[2-(cyclohexylamino)-1,3-benzoxazol-5-yl]-1,4-dihydro-3,1-benzoxazin-2-one.

Molecular Properties

Compound Name6-[2-(cyclohexylamino)-1,3-benzoxazol-5-yl]-1,4-dihydro-3,1-benzoxazin-2-one
PubChem CID70903063
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name6-[2-(cyclohexylamino)-1,3-benzoxazol-5-yl]-1,4-dihydro-3,1-benzoxazin-2-one
SMILESO=C1Nc2ccc(-c3ccc4oc(NC5CCCCC5)nc4c3)cc2CO1
InChIInChI=1S/C21H21N3O3/c25-21-24-17-8-6-13(10-15(17)12-26-21)14-7-9-19-18(11-14)23-20(27-19)22-16-4-2-1-3-5-16/h6-11,16H,1-5,12H2,(H,22,23)(H,24,25)
InChIKeyQUAKZSWXJLKMPJ-UHFFFAOYSA-N
XLogP5.30
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.42
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-[2-(cyclohexylamino)-1,3-benzoxazol-5-yl]-1,4-dihydro-3,1-benzoxazin-2-one with MolForge

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Related Compounds

6-[2-(cyclohexylamino)-1,3-benzoxazol-5-yl]-3-ethyl-1,4-dihydroquinazolin-2-one
CID 70903060
5-(4-aminophenyl)-N-cyclohexyl-1,3-benzoxazol-2-amine
CID 45279549
N-cyclohexyl-5-(2-methyl-3H-benzimidazol-5-yl)-1,3-benzoxazol-2-amine
CID 45279829
N-cyclohexyl-5-(3,4-diethoxyphenyl)-1,3-benzoxazol-2-amine
CID 68656484
5-(2-butan-2-yl-1H-indol-5-yl)-N-cyclohexyl-1,3-benzoxazol-2-amine
CID 91427328
N-cyclohexyl-5-propan-2-yl-1,3-benzoxazol-2-amine
CID 58896893
N-cyclobutyl-5-(1-methylindol-5-yl)-1,3-benzoxazol-2-amine
CID 68658294
6-[4-cyclohexyloxy-3-(methylideneamino)phenyl]-1,4-dihydro-3,1-benzoxazin-2-one
CID 143969102
N-cyclohexyl-5-(4-methoxy-2-methylphenyl)-1,3-benzoxazol-2-amine
CID 68657492
N-cyclohexyl-6-nitro-1,3-benzoxazol-2-amine
CID 12711471
N-cyclohexyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzoxazol-2-amine
CID 68658124
N-cyclohexyl-5-(3,7-dimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-1,3-benzoxazol-2-amine
CID 139602311

Frequently Asked Questions

What is the IUPAC name of 6-[2-(cyclohexylamino)-1,3-benzoxazol-5-yl]-1,4-dihydro-3,1-benzoxazin-2-one?
The IUPAC name of 6-[2-(cyclohexylamino)-1,3-benzoxazol-5-yl]-1,4-dihydro-3,1-benzoxazin-2-one (CID 70903063) is 6-[2-(cyclohexylamino)-1,3-benzoxazol-5-yl]-1,4-dihydro-3,1-benzoxazin-2-one.
What is the SMILES notation for 6-[2-(cyclohexylamino)-1,3-benzoxazol-5-yl]-1,4-dihydro-3,1-benzoxazin-2-one?
The canonical SMILES for 6-[2-(cyclohexylamino)-1,3-benzoxazol-5-yl]-1,4-dihydro-3,1-benzoxazin-2-one is O=C1Nc2ccc(-c3ccc4oc(NC5CCCCC5)nc4c3)cc2CO1.
What is the InChIKey of 6-[2-(cyclohexylamino)-1,3-benzoxazol-5-yl]-1,4-dihydro-3,1-benzoxazin-2-one?
The InChIKey is QUAKZSWXJLKMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c25-21-24-17-8-6-13(10-15(17)12-26-21)14-7-9-19-18(11-14)23-20(27-19)22-16-4-2-1-3-5-16/h6-11,16H,1-5,12H2,(H,22,23)(H,24,25).
What are the key properties of 6-[2-(cyclohexylamino)-1,3-benzoxazol-5-yl]-1,4-dihydro-3,1-benzoxazin-2-one?
6-[2-(cyclohexylamino)-1,3-benzoxazol-5-yl]-1,4-dihydro-3,1-benzoxazin-2-one has a molecular weight of 363.42 g/mol, XLogP of 5.30, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(cyclohexylamino)-1,3-benzoxazol-5-yl]-1,4-dihydro-3,1-benzoxazin-2-one is sourced from PubChem (CID 70903063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).