10-methoxy-5-[[5-methyl-2-(5-methylfuran-2-yl)-1,3-oxazol-4-yl]methyl]-2,3,4,6-tetrahydro-1,5-benzoxazocine

C21H24N2O4 — CID 26405650

IUPAC10-methoxy-5-[[5-methyl-2-(5-methylfuran-2-yl)-1,3-oxazol-4-yl]methyl]-2,3,4,6-tetrahydro-1,5-benzoxazocine
SMILESCOc1cccc2c1OCCCN(Cc1nc(-c3ccc(C)o3)oc1C)C2
InChIInChI=1S/C21H24N2O4/c1-14-8-9-19(26-14)21-22-17(15(2)27-21)13-23-10-5-11-25-20-16(12-23)6-4-7-18(20)24-3/h4,6-9H,5,10-13H2,1-3H3
InChIKeyDLCXGLFMNATGAE-UHFFFAOYSA-N
MW368.43 g/mol
LogP4.34
Rot. Bonds4

About 10-methoxy-5-[[5-methyl-2-(5-methylfuran-2-yl)-1,3-oxazol-4-yl]methyl]-2,3,4,6-tetrahydro-1,5-benzoxazocine

10-methoxy-5-[[5-methyl-2-(5-methylfuran-2-yl)-1,3-oxazol-4-yl]methyl]-2,3,4,6-tetrahydro-1,5-benzoxazocine (PubChem CID 26405650) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 10-methoxy-5-[[5-methyl-2-(5-methylfuran-2-yl)-1,3-oxazol-4-yl]methyl]-2,3,4,6-tetrahydro-1,5-benzoxazocine.

Molecular Properties

Compound Name10-methoxy-5-[[5-methyl-2-(5-methylfuran-2-yl)-1,3-oxazol-4-yl]methyl]-2,3,4,6-tetrahydro-1,5-benzoxazocine
PubChem CID26405650
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name10-methoxy-5-[[5-methyl-2-(5-methylfuran-2-yl)-1,3-oxazol-4-yl]methyl]-2,3,4,6-tetrahydro-1,5-benzoxazocine
SMILESCOc1cccc2c1OCCCN(Cc1nc(-c3ccc(C)o3)oc1C)C2
InChIInChI=1S/C21H24N2O4/c1-14-8-9-19(26-14)21-22-17(15(2)27-21)13-23-10-5-11-25-20-16(12-23)6-4-7-18(20)24-3/h4,6-9H,5,10-13H2,1-3H3
InChIKeyDLCXGLFMNATGAE-UHFFFAOYSA-N
XLogP4.34
TPSA60.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 10-methoxy-5-[[5-methyl-2-(5-methylfuran-2-yl)-1,3-oxazol-4-yl]methyl]-2,3,4,6-tetrahydro-1,5-benzoxazocine with MolForge

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Related Compounds

10-methoxy-5-[(3R)-3-methylsulfanylbutyl]-2,3,4,6-tetrahydro-1,5-benzoxazocine
CID 99961723
10-methoxy-5-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]-2,3,4,6-tetrahydro-1,5-benzoxazocine
CID 50976738
5-[(1-benzylimidazol-2-yl)methyl]-10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocine
CID 171907837
2-[(3S)-1-[[5-methyl-2-(5-methylfuran-2-yl)-1,3-oxazol-4-yl]methyl]piperidin-3-yl]-1,3-benzoxazole
CID 28850812
2-(2-methoxyphenyl)-5-methyl-4-(piperazin-1-ylmethyl)-1,3-oxazole
CID 46344229
3-[4-ethyl-5-[(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine
CID 91790909
N-methyl-N-[[5-methyl-2-(5-methylfuran-2-yl)-1,3-oxazol-4-yl]methyl]-1-naphthalen-1-ylmethanamine
CID 25382626
10-methoxy-5-[(2R)-2-(1,2,4-triazol-1-yl)propyl]-2,3,4,6-tetrahydro-1,5-benzoxazocine
CID 124731591
5-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocine
CID 56743322
5-methyl-2-(5-methylfuran-2-yl)-4-[[(2S)-2-pyridin-2-ylpiperidin-1-yl]methyl]-1,3-oxazole
CID 42522026
2-(furan-2-yl)-4-[[4-(2-methoxyphenoxy)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 25460901
5-[1-(furan-2-ylmethyl)piperidin-4-yl]-10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocine
CID 131892345

Frequently Asked Questions

What is the IUPAC name of 10-methoxy-5-[[5-methyl-2-(5-methylfuran-2-yl)-1,3-oxazol-4-yl]methyl]-2,3,4,6-tetrahydro-1,5-benzoxazocine?
The IUPAC name of 10-methoxy-5-[[5-methyl-2-(5-methylfuran-2-yl)-1,3-oxazol-4-yl]methyl]-2,3,4,6-tetrahydro-1,5-benzoxazocine (CID 26405650) is 10-methoxy-5-[[5-methyl-2-(5-methylfuran-2-yl)-1,3-oxazol-4-yl]methyl]-2,3,4,6-tetrahydro-1,5-benzoxazocine.
What is the SMILES notation for 10-methoxy-5-[[5-methyl-2-(5-methylfuran-2-yl)-1,3-oxazol-4-yl]methyl]-2,3,4,6-tetrahydro-1,5-benzoxazocine?
The canonical SMILES for 10-methoxy-5-[[5-methyl-2-(5-methylfuran-2-yl)-1,3-oxazol-4-yl]methyl]-2,3,4,6-tetrahydro-1,5-benzoxazocine is COc1cccc2c1OCCCN(Cc1nc(-c3ccc(C)o3)oc1C)C2.
What is the InChIKey of 10-methoxy-5-[[5-methyl-2-(5-methylfuran-2-yl)-1,3-oxazol-4-yl]methyl]-2,3,4,6-tetrahydro-1,5-benzoxazocine?
The InChIKey is DLCXGLFMNATGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-14-8-9-19(26-14)21-22-17(15(2)27-21)13-23-10-5-11-25-20-16(12-23)6-4-7-18(20)24-3/h4,6-9H,5,10-13H2,1-3H3.
What are the key properties of 10-methoxy-5-[[5-methyl-2-(5-methylfuran-2-yl)-1,3-oxazol-4-yl]methyl]-2,3,4,6-tetrahydro-1,5-benzoxazocine?
10-methoxy-5-[[5-methyl-2-(5-methylfuran-2-yl)-1,3-oxazol-4-yl]methyl]-2,3,4,6-tetrahydro-1,5-benzoxazocine has a molecular weight of 368.43 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methoxy-5-[[5-methyl-2-(5-methylfuran-2-yl)-1,3-oxazol-4-yl]methyl]-2,3,4,6-tetrahydro-1,5-benzoxazocine is sourced from PubChem (CID 26405650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).