[5-(4-bromophenyl)furan-2-yl]methyl-methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]azanium

C18H19BrN3O3+ — CID 9296230

IUPAC[5-(4-bromophenyl)furan-2-yl]methyl-methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]azanium
SMILESCc1cc(NC(=O)C[NH+](C)Cc2ccc(-c3ccc(Br)cc3)o2)no1
InChIInChI=1S/C18H18BrN3O3/c1-12-9-17(21-25-12)20-18(23)11-22(2)10-15-7-8-16(24-15)13-3-5-14(19)6-4-13/h3-9H,10-11H2,1-2H3,(H,20,21,23)/p+1
InChIKeyAGPVHWBZCNMHQH-UHFFFAOYSA-O
MW405.27 g/mol
LogP2.66
Rot. Bonds6

About [5-(4-bromophenyl)furan-2-yl]methyl-methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]azanium

[5-(4-bromophenyl)furan-2-yl]methyl-methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]azanium (PubChem CID 9296230) has the molecular formula C18H19BrN3O3+ and a molecular weight of 405.27 g/mol. Its IUPAC name is [5-(4-bromophenyl)furan-2-yl]methyl-methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]azanium.

Molecular Properties

Compound Name[5-(4-bromophenyl)furan-2-yl]methyl-methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]azanium
PubChem CID9296230
Molecular FormulaC18H19BrN3O3+
Molecular Weight405.27 g/mol
Exact Mass404.06
IUPAC Name[5-(4-bromophenyl)furan-2-yl]methyl-methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]azanium
SMILESCc1cc(NC(=O)C[NH+](C)Cc2ccc(-c3ccc(Br)cc3)o2)no1
InChIInChI=1S/C18H18BrN3O3/c1-12-9-17(21-25-12)20-18(23)11-22(2)10-15-7-8-16(24-15)13-3-5-14(19)6-4-13/h3-9H,10-11H2,1-2H3,(H,20,21,23)/p+1
InChIKeyAGPVHWBZCNMHQH-UHFFFAOYSA-O
XLogP2.66
TPSA72.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.27
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [5-(4-bromophenyl)furan-2-yl]methyl-methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]azanium with MolForge

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Related Compounds

1-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 71899906
[5-(4-bromophenyl)furan-2-yl]methyl-[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]-methylazanium
CID 8596739
[5-(4-chlorophenyl)furan-2-yl]methyl-methyl-[2-(methylcarbamoylamino)-2-oxoethyl]azanium
CID 8720910
(2-fluorophenyl)methyl-methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]azanium
CID 9034400
1,3-benzodioxol-5-ylmethyl-methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]azanium
CID 8746882
[2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl]-methyl-[(5-methylfuran-2-yl)methyl]azanium
CID 9102647
5-(4-bromophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopentanamide
CID 110429046
methyl-[(5-methylfuran-2-yl)methyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
CID 9103197
2-[[(1R)-1-(4-bromophenyl)propyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 9263205
[2-(3,4-difluoroanilino)-2-oxoethyl]-methyl-[(5-methylfuran-2-yl)methyl]azanium
CID 9102886
(2S)-2-(4-bromoanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 40939515
N-[4-(4-bromophenoxy)phenyl]-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetamide
CID 37034630

Frequently Asked Questions

What is the IUPAC name of [5-(4-bromophenyl)furan-2-yl]methyl-methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]azanium?
The IUPAC name of [5-(4-bromophenyl)furan-2-yl]methyl-methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]azanium (CID 9296230) is [5-(4-bromophenyl)furan-2-yl]methyl-methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]azanium.
What is the SMILES notation for [5-(4-bromophenyl)furan-2-yl]methyl-methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]azanium?
The canonical SMILES for [5-(4-bromophenyl)furan-2-yl]methyl-methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]azanium is Cc1cc(NC(=O)C[NH+](C)Cc2ccc(-c3ccc(Br)cc3)o2)no1.
What is the InChIKey of [5-(4-bromophenyl)furan-2-yl]methyl-methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]azanium?
The InChIKey is AGPVHWBZCNMHQH-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H18BrN3O3/c1-12-9-17(21-25-12)20-18(23)11-22(2)10-15-7-8-16(24-15)13-3-5-14(19)6-4-13/h3-9H,10-11H2,1-2H3,(H,20,21,23)/p+1.
What are the key properties of [5-(4-bromophenyl)furan-2-yl]methyl-methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]azanium?
[5-(4-bromophenyl)furan-2-yl]methyl-methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]azanium has a molecular weight of 405.27 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-bromophenyl)furan-2-yl]methyl-methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]azanium is sourced from PubChem (CID 9296230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).