methyl 2-[(5-bromofuran-2-yl)methyl-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)amino]acetate

C19H17BrN2O5 — CID 86638373

IUPACmethyl 2-[(5-bromofuran-2-yl)methyl-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)amino]acetate
SMILESCOC(=O)CN(Cc1ccc(Br)o1)C(=O)c1oc(-c2ccccc2)nc1C
InChIInChI=1S/C19H17BrN2O5/c1-12-17(27-18(21-12)13-6-4-3-5-7-13)19(24)22(11-16(23)25-2)10-14-8-9-15(20)26-14/h3-9H,10-11H2,1-2H3
InChIKeyLDZIZOIWDKRLBR-UHFFFAOYSA-N
MW433.26 g/mol
LogP3.82
Rot. Bonds6

About methyl 2-[(5-bromofuran-2-yl)methyl-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)amino]acetate

methyl 2-[(5-bromofuran-2-yl)methyl-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)amino]acetate (PubChem CID 86638373) has the molecular formula C19H17BrN2O5 and a molecular weight of 433.26 g/mol. Its IUPAC name is methyl 2-[(5-bromofuran-2-yl)methyl-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(5-bromofuran-2-yl)methyl-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)amino]acetate
PubChem CID86638373
Molecular FormulaC19H17BrN2O5
Molecular Weight433.26 g/mol
Exact Mass432.03
IUPAC Namemethyl 2-[(5-bromofuran-2-yl)methyl-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)amino]acetate
SMILESCOC(=O)CN(Cc1ccc(Br)o1)C(=O)c1oc(-c2ccccc2)nc1C
InChIInChI=1S/C19H17BrN2O5/c1-12-17(27-18(21-12)13-6-4-3-5-7-13)19(24)22(11-16(23)25-2)10-14-8-9-15(20)26-14/h3-9H,10-11H2,1-2H3
InChIKeyLDZIZOIWDKRLBR-UHFFFAOYSA-N
XLogP3.82
TPSA85.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.26
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-[(5-bromofuran-2-yl)methyl-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)amino]acetate with MolForge

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Related Compounds

2-[4-[[Furan-2-ylmethyl-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]amino]methyl]phenoxy]-2-methylpropanoic acid
CID 71450438
2-[4-[[[2-(3-Bromophenyl)-5-methyl-1,3-oxazol-4-yl]methyl-butylamino]methyl]phenoxy]-2-methylpropanoic acid
CID 71450440
2-[4-[[[2-(3-Bromophenyl)-5-methyl-1,3-oxazol-4-yl]methyl-[(4-methoxyphenyl)methyl]amino]methyl]phenoxy]-2-methylpropanoic acid
CID 71454069
2-[4-[[[2-(3-Bromophenyl)-5-methyl-1,3-oxazol-4-yl]methyl-(furan-2-ylmethyl)amino]methyl]phenoxy]-2-methylpropanoic acid
CID 71455800
2-[4-[[Benzyl-[[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]amino]methyl]phenoxy]-2-methylpropanoic acid
CID 71455801
2-[4-[[[2-(3-Bromophenyl)-5-methyl-1,3-oxazol-4-yl]methylamino]methyl]phenoxy]-2-methylpropanoic acid
CID 71462957
2-(4-fluorophenyl)-N-[(2R)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-2-yl]-4-propyl-1,3-oxazole-5-carboxamide
CID 16069004
1-{[2-(3,5-Difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-4-(2-furoyl)piperazine
CID 24817486
1-{[2-(2,5-Difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-4-(2-furoyl)-1,4-diazepane
CID 16190242
[4-[[2-(3-Fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1,4-diazepan-1-yl]-(furan-2-yl)methanone
CID 24791398
Methyl 4-(4-{[4-(2-furoyl)-1,4-diazepan-1-yl]methyl}-5-methyl-1,3-oxazol-2-yl)benzoate
CID 24816930
1-(2-Furoyl)-4-{[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl}piperazine
CID 24817187

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-bromofuran-2-yl)methyl-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)amino]acetate?
The IUPAC name of methyl 2-[(5-bromofuran-2-yl)methyl-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)amino]acetate (CID 86638373) is methyl 2-[(5-bromofuran-2-yl)methyl-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)amino]acetate.
What is the SMILES notation for methyl 2-[(5-bromofuran-2-yl)methyl-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)amino]acetate?
The canonical SMILES for methyl 2-[(5-bromofuran-2-yl)methyl-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)amino]acetate is COC(=O)CN(Cc1ccc(Br)o1)C(=O)c1oc(-c2ccccc2)nc1C.
What is the InChIKey of methyl 2-[(5-bromofuran-2-yl)methyl-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)amino]acetate?
The InChIKey is LDZIZOIWDKRLBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN2O5/c1-12-17(27-18(21-12)13-6-4-3-5-7-13)19(24)22(11-16(23)25-2)10-14-8-9-15(20)26-14/h3-9H,10-11H2,1-2H3.
What are the key properties of methyl 2-[(5-bromofuran-2-yl)methyl-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)amino]acetate?
methyl 2-[(5-bromofuran-2-yl)methyl-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)amino]acetate has a molecular weight of 433.26 g/mol, XLogP of 3.82, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-bromofuran-2-yl)methyl-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)amino]acetate is sourced from PubChem (CID 86638373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).