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

C19H17BrN2O5 — CID 91598772

IUPAC[(5-bromofuran-2-yl)methyl-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)amino] propanoate
SMILESCCC(=O)ON(Cc1ccc(Br)o1)C(=O)c1oc(-c2ccccc2)nc1C
InChIInChI=1S/C19H17BrN2O5/c1-3-16(23)27-22(11-14-9-10-15(20)25-14)19(24)17-12(2)21-18(26-17)13-7-5-4-6-8-13/h4-10H,3,11H2,1-2H3
InChIKeySMJYUSFDPVGACA-UHFFFAOYSA-N
MW433.26 g/mol
LogP4.52
Rot. Bonds5

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

[(5-bromofuran-2-yl)methyl-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)amino] propanoate (PubChem CID 91598772) has the molecular formula C19H17BrN2O5 and a molecular weight of 433.26 g/mol. Its IUPAC name is [(5-bromofuran-2-yl)methyl-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)amino] propanoate.

Molecular Properties

Compound Name[(5-bromofuran-2-yl)methyl-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)amino] propanoate
PubChem CID91598772
Molecular FormulaC19H17BrN2O5
Molecular Weight433.26 g/mol
Exact Mass432.03
IUPAC Name[(5-bromofuran-2-yl)methyl-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)amino] propanoate
SMILESCCC(=O)ON(Cc1ccc(Br)o1)C(=O)c1oc(-c2ccccc2)nc1C
InChIInChI=1S/C19H17BrN2O5/c1-3-16(23)27-22(11-14-9-10-15(20)25-14)19(24)17-12(2)21-18(26-17)13-7-5-4-6-8-13/h4-10H,3,11H2,1-2H3
InChIKeySMJYUSFDPVGACA-UHFFFAOYSA-N
XLogP4.52
TPSA85.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.26
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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-(furan-2-ylmethyl)amino]methyl]phenoxy]-2-methylpropanoic acid
CID 71455800
Methyl 4-(4-{[4-(2-furoyl)-1,4-diazepan-1-yl]methyl}-5-methyl-1,3-oxazol-2-yl)benzoate
CID 24816930
2-[4-[[Benzoyl-[[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]amino]methyl]phenoxy]-2-methylpropanoic acid
CID 71450439
Methyl 4-(4-{[4-(2-furoyl)-1-piperazinyl]methyl}-5-methyl-1,3-oxazol-2-yl)benzoate
CID 28100502
([(4-Methyl-2-phenyl-1,3-oxazol-5-yl)carbonyl]{[5-(2-fluorophenyl)-2-furyl]methyl}amino)acetic acid
CID 59160794
2-[[5-[(3Z,5Z)-4-fluorohepta-1,3,5-trien-3-yl]furan-2-yl]methyl-[2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-4-methyl-1,3-oxazole-5-carbonyl]amino]acetic acid
CID 143649877
3-Fluoro-1-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 120529769
N-(furan-2-ylmethyl)-N-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 45804581
1-(2-Furoyl)-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]piperazine
CID 46287214
2-ethyl-N-[2-furyl(phenyl)methyl]-4-methyl-1,3-oxazole-5-carboxamide
CID 131908405
4-Methyl-2-phenyl-oxazole-5-carboxylic acid methoxy-methyl-amide
CID 9899630

Frequently Asked Questions

What is the IUPAC name of [(5-bromofuran-2-yl)methyl-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)amino] propanoate?
The IUPAC name of [(5-bromofuran-2-yl)methyl-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)amino] propanoate (CID 91598772) is [(5-bromofuran-2-yl)methyl-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)amino] propanoate.
What is the SMILES notation for [(5-bromofuran-2-yl)methyl-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)amino] propanoate?
The canonical SMILES for [(5-bromofuran-2-yl)methyl-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)amino] propanoate is CCC(=O)ON(Cc1ccc(Br)o1)C(=O)c1oc(-c2ccccc2)nc1C.
What is the InChIKey of [(5-bromofuran-2-yl)methyl-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)amino] propanoate?
The InChIKey is SMJYUSFDPVGACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN2O5/c1-3-16(23)27-22(11-14-9-10-15(20)25-14)19(24)17-12(2)21-18(26-17)13-7-5-4-6-8-13/h4-10H,3,11H2,1-2H3.
What are the key properties of [(5-bromofuran-2-yl)methyl-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)amino] propanoate?
[(5-bromofuran-2-yl)methyl-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)amino] propanoate has a molecular weight of 433.26 g/mol, XLogP of 4.52, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(5-bromofuran-2-yl)methyl-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)amino] propanoate is sourced from PubChem (CID 91598772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).