[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] (3S)-1-[(3,4-dichlorobenzoyl)amino]-5-oxopyrrolidine-3-carboxylate

C18H16Cl2N4O6 — CID 41110860

IUPAC[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] (3S)-1-[(3,4-dichlorobenzoyl)amino]-5-oxopyrrolidine-3-carboxylate
SMILESCc1cc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccc(Cl)c(Cl)c3)C2)no1
InChIInChI=1S/C18H16Cl2N4O6/c1-9-4-14(23-30-9)21-15(25)8-29-18(28)11-6-16(26)24(7-11)22-17(27)10-2-3-12(19)13(20)5-10/h2-5,11H,6-8H2,1H3,(H,22,27)(H,21,23,25)/t11-/m0/s1
InChIKeyXVQVUIALFSZONW-NSHDSACASA-N
MW455.25 g/mol
LogP1.97
Rot. Bonds6

About [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] (3S)-1-[(3,4-dichlorobenzoyl)amino]-5-oxopyrrolidine-3-carboxylate

[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] (3S)-1-[(3,4-dichlorobenzoyl)amino]-5-oxopyrrolidine-3-carboxylate (PubChem CID 41110860) has the molecular formula C18H16Cl2N4O6 and a molecular weight of 455.25 g/mol. Its IUPAC name is [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] (3S)-1-[(3,4-dichlorobenzoyl)amino]-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Name[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] (3S)-1-[(3,4-dichlorobenzoyl)amino]-5-oxopyrrolidine-3-carboxylate
PubChem CID41110860
Molecular FormulaC18H16Cl2N4O6
Molecular Weight455.25 g/mol
Exact Mass454.04
IUPAC Name[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] (3S)-1-[(3,4-dichlorobenzoyl)amino]-5-oxopyrrolidine-3-carboxylate
SMILESCc1cc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccc(Cl)c(Cl)c3)C2)no1
InChIInChI=1S/C18H16Cl2N4O6/c1-9-4-14(23-30-9)21-15(25)8-29-18(28)11-6-16(26)24(7-11)22-17(27)10-2-3-12(19)13(20)5-10/h2-5,11H,6-8H2,1H3,(H,22,27)(H,21,23,25)/t11-/m0/s1
InChIKeyXVQVUIALFSZONW-NSHDSACASA-N
XLogP1.97
TPSA130.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.25
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] (3S)-1-[(3,5-dimethoxybenzoyl)amino]-5-oxopyrrolidine-3-carboxylate
CID 41110868
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] (3R)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7871210
1-[(3,4-dichlorobenzoyl)amino]-5-oxopyrrolidine-3-carboxylic acid
CID 46779173
[2-(2-methylanilino)-2-oxoethyl] (3S)-1-[(4-chlorobenzoyl)amino]-5-oxopyrrolidine-3-carboxylate
CID 124580701
[2-(2,3-dichloroanilino)-2-oxoethyl] (3S)-1-[(3,4-dimethoxybenzoyl)amino]-5-oxopyrrolidine-3-carboxylate
CID 124580661
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 3164244
[2-(3,5-dimethylanilino)-2-oxoethyl] (3S)-1-benzamido-5-oxopyrrolidine-3-carboxylate
CID 9166626
[2-(3-chloroanilino)-2-oxoethyl] (3R)-1-[(3,4-dimethoxybenzoyl)amino]-5-oxopyrrolidine-3-carboxylate
CID 124580369
[2-(2,4-dimethylanilino)-2-oxoethyl] (3R)-1-[(4-bromobenzoyl)amino]-5-oxopyrrolidine-3-carboxylate
CID 124580423
[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] (3S)-1-[(3,4-dimethoxybenzoyl)amino]-5-oxopyrrolidine-3-carboxylate
CID 124579826
[2-(4-chlorophenyl)-2-oxoethyl] (3R)-1-[(4-chlorobenzoyl)amino]-5-oxopyrrolidine-3-carboxylate
CID 40878074
[2-(4-methylphenyl)-2-oxoethyl] (3R)-1-[(4-methylbenzoyl)amino]-5-oxopyrrolidine-3-carboxylate
CID 7281773

Frequently Asked Questions

What is the IUPAC name of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] (3S)-1-[(3,4-dichlorobenzoyl)amino]-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] (3S)-1-[(3,4-dichlorobenzoyl)amino]-5-oxopyrrolidine-3-carboxylate (CID 41110860) is [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] (3S)-1-[(3,4-dichlorobenzoyl)amino]-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] (3S)-1-[(3,4-dichlorobenzoyl)amino]-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] (3S)-1-[(3,4-dichlorobenzoyl)amino]-5-oxopyrrolidine-3-carboxylate is Cc1cc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccc(Cl)c(Cl)c3)C2)no1.
What is the InChIKey of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] (3S)-1-[(3,4-dichlorobenzoyl)amino]-5-oxopyrrolidine-3-carboxylate?
The InChIKey is XVQVUIALFSZONW-NSHDSACASA-N. The full InChI is InChI=1S/C18H16Cl2N4O6/c1-9-4-14(23-30-9)21-15(25)8-29-18(28)11-6-16(26)24(7-11)22-17(27)10-2-3-12(19)13(20)5-10/h2-5,11H,6-8H2,1H3,(H,22,27)(H,21,23,25)/t11-/m0/s1.
What are the key properties of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] (3S)-1-[(3,4-dichlorobenzoyl)amino]-5-oxopyrrolidine-3-carboxylate?
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] (3S)-1-[(3,4-dichlorobenzoyl)amino]-5-oxopyrrolidine-3-carboxylate has a molecular weight of 455.25 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] (3S)-1-[(3,4-dichlorobenzoyl)amino]-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 41110860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).