(5-methyl-1,2-oxazol-3-yl)methyl (2S)-2-[(4-bromobenzoyl)amino]propanoate

C15H15BrN2O4 — CID 8880494

IUPAC(5-methyl-1,2-oxazol-3-yl)methyl (2S)-2-[(4-bromobenzoyl)amino]propanoate
SMILESCc1cc(COC(=O)[C@H](C)NC(=O)c2ccc(Br)cc2)no1
InChIInChI=1S/C15H15BrN2O4/c1-9-7-13(18-22-9)8-21-15(20)10(2)17-14(19)11-3-5-12(16)6-4-11/h3-7,10H,8H2,1-2H3,(H,17,19)/t10-/m0/s1
InChIKeyKRCABYSFFMPVMK-JTQLQIEISA-N
MW367.20 g/mol
LogP2.61
Rot. Bonds5

About (5-methyl-1,2-oxazol-3-yl)methyl (2S)-2-[(4-bromobenzoyl)amino]propanoate

(5-methyl-1,2-oxazol-3-yl)methyl (2S)-2-[(4-bromobenzoyl)amino]propanoate (PubChem CID 8880494) has the molecular formula C15H15BrN2O4 and a molecular weight of 367.20 g/mol. Its IUPAC name is (5-methyl-1,2-oxazol-3-yl)methyl (2S)-2-[(4-bromobenzoyl)amino]propanoate.

Molecular Properties

Compound Name(5-methyl-1,2-oxazol-3-yl)methyl (2S)-2-[(4-bromobenzoyl)amino]propanoate
PubChem CID8880494
Molecular FormulaC15H15BrN2O4
Molecular Weight367.20 g/mol
Exact Mass366.02
IUPAC Name(5-methyl-1,2-oxazol-3-yl)methyl (2S)-2-[(4-bromobenzoyl)amino]propanoate
SMILESCc1cc(COC(=O)[C@H](C)NC(=O)c2ccc(Br)cc2)no1
InChIInChI=1S/C15H15BrN2O4/c1-9-7-13(18-22-9)8-21-15(20)10(2)17-14(19)11-3-5-12(16)6-4-11/h3-7,10H,8H2,1-2H3,(H,17,19)/t10-/m0/s1
InChIKeyKRCABYSFFMPVMK-JTQLQIEISA-N
XLogP2.61
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.20
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (5-methyl-1,2-oxazol-3-yl)methyl (2S)-2-[(4-bromobenzoyl)amino]propanoate with MolForge

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Related Compounds

ethyl 2-[(4-bromobenzoyl)amino]propanoate
CID 19166830
methyl 2-[(4-bromobenzoyl)amino]propanoate
CID 531405
2-oxopropyl (2S)-2-[(4-bromobenzoyl)amino]propanoate
CID 8880148
(5-methyl-1,2-oxazol-3-yl)methyl (2S)-2-[(4-chlorobenzoyl)amino]-4-methylsulfanylbutanoate
CID 8940677
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] (2S)-2-[(4-chlorobenzoyl)amino]propanoate
CID 7563517
(5-methyl-1,2-oxazol-3-yl)methyl 3-[(4-bromophenyl)sulfonylamino]propanoate
CID 8953156
ethyl 2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoate
CID 14676597
[2-(ethylcarbamoylamino)-2-oxoethyl] (2S)-2-[(4-bromobenzoyl)amino]propanoate
CID 8880315
(1-propyltetrazol-5-yl)methyl (2S)-2-[(4-bromobenzoyl)amino]propanoate
CID 8880490
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] (2S)-2-[(4-bromobenzoyl)amino]propanoate
CID 8880198
N-(1-hydroxypropan-2-yl)-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]benzamide
CID 111113250
N-[1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-1-oxopropan-2-yl]benzamide
CID 86908237

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,2-oxazol-3-yl)methyl (2S)-2-[(4-bromobenzoyl)amino]propanoate?
The IUPAC name of (5-methyl-1,2-oxazol-3-yl)methyl (2S)-2-[(4-bromobenzoyl)amino]propanoate (CID 8880494) is (5-methyl-1,2-oxazol-3-yl)methyl (2S)-2-[(4-bromobenzoyl)amino]propanoate.
What is the SMILES notation for (5-methyl-1,2-oxazol-3-yl)methyl (2S)-2-[(4-bromobenzoyl)amino]propanoate?
The canonical SMILES for (5-methyl-1,2-oxazol-3-yl)methyl (2S)-2-[(4-bromobenzoyl)amino]propanoate is Cc1cc(COC(=O)[C@H](C)NC(=O)c2ccc(Br)cc2)no1.
What is the InChIKey of (5-methyl-1,2-oxazol-3-yl)methyl (2S)-2-[(4-bromobenzoyl)amino]propanoate?
The InChIKey is KRCABYSFFMPVMK-JTQLQIEISA-N. The full InChI is InChI=1S/C15H15BrN2O4/c1-9-7-13(18-22-9)8-21-15(20)10(2)17-14(19)11-3-5-12(16)6-4-11/h3-7,10H,8H2,1-2H3,(H,17,19)/t10-/m0/s1.
What are the key properties of (5-methyl-1,2-oxazol-3-yl)methyl (2S)-2-[(4-bromobenzoyl)amino]propanoate?
(5-methyl-1,2-oxazol-3-yl)methyl (2S)-2-[(4-bromobenzoyl)amino]propanoate has a molecular weight of 367.20 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,2-oxazol-3-yl)methyl (2S)-2-[(4-bromobenzoyl)amino]propanoate is sourced from PubChem (CID 8880494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).