8-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-5-phenyl-2,3,5,6-tetrahydro-4,1-benzoxazocine

C22H24N2O2 — CID 24865641

IUPAC8-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-5-phenyl-2,3,5,6-tetrahydro-4,1-benzoxazocine
SMILESCc1noc(C)c1-c1ccc2c(c1)CC(c1ccccc1)OCCN2C
InChIInChI=1S/C22H24N2O2/c1-15-22(16(2)26-23-15)18-9-10-20-19(13-18)14-21(25-12-11-24(20)3)17-7-5-4-6-8-17/h4-10,13,21H,11-12,14H2,1-3H3
InChIKeyRXYSVNWBTADQRP-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.71
Rot. Bonds2

About 8-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-5-phenyl-2,3,5,6-tetrahydro-4,1-benzoxazocine

8-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-5-phenyl-2,3,5,6-tetrahydro-4,1-benzoxazocine (PubChem CID 24865641) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 8-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-5-phenyl-2,3,5,6-tetrahydro-4,1-benzoxazocine.

Molecular Properties

Compound Name8-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-5-phenyl-2,3,5,6-tetrahydro-4,1-benzoxazocine
PubChem CID24865641
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name8-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-5-phenyl-2,3,5,6-tetrahydro-4,1-benzoxazocine
SMILESCc1noc(C)c1-c1ccc2c(c1)CC(c1ccccc1)OCCN2C
InChIInChI=1S/C22H24N2O2/c1-15-22(16(2)26-23-15)18-9-10-20-19(13-18)14-21(25-12-11-24(20)3)17-7-5-4-6-8-17/h4-10,13,21H,11-12,14H2,1-3H3
InChIKeyRXYSVNWBTADQRP-UHFFFAOYSA-N
XLogP4.71
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-5-phenyl-2,3,5,6-tetrahydro-4,1-benzoxazocine with MolForge

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Related Compounds

9-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-1-phenyl-2,3,5,6-tetrahydro-4,1-benzoxazocine
CID 68840094
(1S)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1-phenyl-1,4-dihydroisoquinolin-3-one
CID 158308730
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-phenylmorpholine
CID 51076931
6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-4-phenyl-1,4-dihydroquinazolin-2-one
CID 86273096
7-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2-dimethyl-1-phenyl-4H-isoquinolin-3-one
CID 158134141
(3-methyl-1,2-oxazol-5-yl)-(7-phenyl-1,4-oxazepan-4-yl)methanone
CID 138009834
2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-phenylpyrrolidin-1-yl)quinazolin-2-yl]piperazin-1-yl]-N,N-dimethylethanamine
CID 129165841
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-phenylmorpholin-4-yl)propan-1-one
CID 71707666
4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(1-methylpyrazol-4-yl)quinazolin-4-yl]-3-phenylmorpholine
CID 129165840
4-(3-benzyl-1-methyl-7-nitro-2H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole
CID 141428052
[4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-fluorophenyl]boronic acid
CID 140959618
6-(3,5-dimethyl-1,2-oxazol-4-yl)-3,4-dihydro-1H-quinazolin-2-one
CID 144546360

Frequently Asked Questions

What is the IUPAC name of 8-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-5-phenyl-2,3,5,6-tetrahydro-4,1-benzoxazocine?
The IUPAC name of 8-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-5-phenyl-2,3,5,6-tetrahydro-4,1-benzoxazocine (CID 24865641) is 8-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-5-phenyl-2,3,5,6-tetrahydro-4,1-benzoxazocine.
What is the SMILES notation for 8-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-5-phenyl-2,3,5,6-tetrahydro-4,1-benzoxazocine?
The canonical SMILES for 8-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-5-phenyl-2,3,5,6-tetrahydro-4,1-benzoxazocine is Cc1noc(C)c1-c1ccc2c(c1)CC(c1ccccc1)OCCN2C.
What is the InChIKey of 8-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-5-phenyl-2,3,5,6-tetrahydro-4,1-benzoxazocine?
The InChIKey is RXYSVNWBTADQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-15-22(16(2)26-23-15)18-9-10-20-19(13-18)14-21(25-12-11-24(20)3)17-7-5-4-6-8-17/h4-10,13,21H,11-12,14H2,1-3H3.
What are the key properties of 8-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-5-phenyl-2,3,5,6-tetrahydro-4,1-benzoxazocine?
8-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-5-phenyl-2,3,5,6-tetrahydro-4,1-benzoxazocine has a molecular weight of 348.45 g/mol, XLogP of 4.71, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-5-phenyl-2,3,5,6-tetrahydro-4,1-benzoxazocine is sourced from PubChem (CID 24865641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).