methyl 2-[5-[(1S)-1-amino-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-3-methyl-1,2-oxazol-4-yl]-5-chlorobenzoate

C19H23ClN2O5 — CID 118093374

IUPACmethyl 2-[5-[(1S)-1-amino-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-3-methyl-1,2-oxazol-4-yl]-5-chlorobenzoate
SMILESCOC(=O)c1cc(Cl)ccc1-c1c(C)noc1[C@@H](N)CC(=O)OC(C)(C)C
InChIInChI=1S/C19H23ClN2O5/c1-10-16(12-7-6-11(20)8-13(12)18(24)25-5)17(27-22-10)14(21)9-15(23)26-19(2,3)4/h6-8,14H,9,21H2,1-5H3/t14-/m0/s1
InChIKeyKSQBTIQPOKVAKL-AWEZNQCLSA-N
MW394.86 g/mol
LogP3.82
Rot. Bonds5

About methyl 2-[5-[(1S)-1-amino-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-3-methyl-1,2-oxazol-4-yl]-5-chlorobenzoate

methyl 2-[5-[(1S)-1-amino-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-3-methyl-1,2-oxazol-4-yl]-5-chlorobenzoate (PubChem CID 118093374) has the molecular formula C19H23ClN2O5 and a molecular weight of 394.86 g/mol. Its IUPAC name is methyl 2-[5-[(1S)-1-amino-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-3-methyl-1,2-oxazol-4-yl]-5-chlorobenzoate.

Molecular Properties

Compound Namemethyl 2-[5-[(1S)-1-amino-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-3-methyl-1,2-oxazol-4-yl]-5-chlorobenzoate
PubChem CID118093374
Molecular FormulaC19H23ClN2O5
Molecular Weight394.86 g/mol
Exact Mass394.13
IUPAC Namemethyl 2-[5-[(1S)-1-amino-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-3-methyl-1,2-oxazol-4-yl]-5-chlorobenzoate
SMILESCOC(=O)c1cc(Cl)ccc1-c1c(C)noc1[C@@H](N)CC(=O)OC(C)(C)C
InChIInChI=1S/C19H23ClN2O5/c1-10-16(12-7-6-11(20)8-13(12)18(24)25-5)17(27-22-10)14(21)9-15(23)26-19(2,3)4/h6-8,14H,9,21H2,1-5H3/t14-/m0/s1
InChIKeyKSQBTIQPOKVAKL-AWEZNQCLSA-N
XLogP3.82
TPSA104.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.86
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 2-[5-[(1S)-1-amino-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-3-methyl-1,2-oxazol-4-yl]-5-chlorobenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[5-[(1R)-1-(tert-butylsulfinylamino)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-3-methyl-1,2-oxazol-4-yl]-5-chlorobenzoate
CID 118100364
methyl 5-chloro-2-[5-(hydroxymethyl)-3-methyl-1,2-oxazol-4-yl]benzoate
CID 118093352
tert-butyl (3R)-3-amino-3-(3,5-dichlorophenyl)propanoate
CID 131875698
methyl 5-chloro-2-trimethylsilylbenzoate
CID 175229635
(R)-N-[(1S)-1-[4-(4-chloro-2-methylphenyl)-3-methyl-1,2-oxazol-5-yl]ethyl]-2-methylpropane-2-sulfinamide
CID 67990142
tert-butyl 2-amino-4-(2,5-dichlorophenyl)-4-oxobutanoate
CID 83226474
tert-butyl (3S)-3-amino-3-(2-bromophenyl)propanoate
CID 11130344
methyl 2-[[[tert-butyl(dimethyl)silyl]amino]sulfonimidoyl]-5-chlorobenzoate
CID 166042412
4-chloro-2-methoxycarbonylbenzoic acid
CID 58541939
tert-butyl (3S)-3-amino-4-[[3-(4-chloro-2-fluorobenzoyl)-4,5-dimethylthiophen-2-yl]amino]-4-oxobutanoate
CID 171071581
tert-butyl (3S)-3-amino-3-(2,6-difluorophenyl)propanoate
CID 155971124
methyl 5-chloro-2-[[2-(ethylamino)-2-methylpropanoyl]amino]benzoate
CID 62832150

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-[(1S)-1-amino-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-3-methyl-1,2-oxazol-4-yl]-5-chlorobenzoate?
The IUPAC name of methyl 2-[5-[(1S)-1-amino-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-3-methyl-1,2-oxazol-4-yl]-5-chlorobenzoate (CID 118093374) is methyl 2-[5-[(1S)-1-amino-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-3-methyl-1,2-oxazol-4-yl]-5-chlorobenzoate.
What is the SMILES notation for methyl 2-[5-[(1S)-1-amino-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-3-methyl-1,2-oxazol-4-yl]-5-chlorobenzoate?
The canonical SMILES for methyl 2-[5-[(1S)-1-amino-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-3-methyl-1,2-oxazol-4-yl]-5-chlorobenzoate is COC(=O)c1cc(Cl)ccc1-c1c(C)noc1[C@@H](N)CC(=O)OC(C)(C)C.
What is the InChIKey of methyl 2-[5-[(1S)-1-amino-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-3-methyl-1,2-oxazol-4-yl]-5-chlorobenzoate?
The InChIKey is KSQBTIQPOKVAKL-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H23ClN2O5/c1-10-16(12-7-6-11(20)8-13(12)18(24)25-5)17(27-22-10)14(21)9-15(23)26-19(2,3)4/h6-8,14H,9,21H2,1-5H3/t14-/m0/s1.
What are the key properties of methyl 2-[5-[(1S)-1-amino-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-3-methyl-1,2-oxazol-4-yl]-5-chlorobenzoate?
methyl 2-[5-[(1S)-1-amino-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-3-methyl-1,2-oxazol-4-yl]-5-chlorobenzoate has a molecular weight of 394.86 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-[(1S)-1-amino-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-3-methyl-1,2-oxazol-4-yl]-5-chlorobenzoate is sourced from PubChem (CID 118093374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).