2-(3,4-dichlorophenoxy)-N-[(2S)-2-hydroxy-4-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]butyl]acetamide

C18H21Cl2N3O6 — CID 155302808

IUPAC2-(3,4-dichlorophenoxy)-N-[(2S)-2-hydroxy-4-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]butyl]acetamide
SMILESCc1cc(OCC(=O)NCC[C@H](O)CNC(=O)COc2ccc(Cl)c(Cl)c2)no1
InChIInChI=1S/C18H21Cl2N3O6/c1-11-6-18(23-29-11)28-10-16(25)21-5-4-12(24)8-22-17(26)9-27-13-2-3-14(19)15(20)7-13/h2-3,6-7,12,24H,4-5,8-10H2,1H3,(H,21,25)(H,22,26)/t12-/m0/s1
InChIKeyVVCSWLVYWHKXPW-LBPRGKRZSA-N
MW446.29 g/mol
LogP1.73
Rot. Bonds11

About 2-(3,4-dichlorophenoxy)-N-[(2S)-2-hydroxy-4-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]butyl]acetamide

2-(3,4-dichlorophenoxy)-N-[(2S)-2-hydroxy-4-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]butyl]acetamide (PubChem CID 155302808) has the molecular formula C18H21Cl2N3O6 and a molecular weight of 446.29 g/mol. Its IUPAC name is 2-(3,4-dichlorophenoxy)-N-[(2S)-2-hydroxy-4-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]butyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenoxy)-N-[(2S)-2-hydroxy-4-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]butyl]acetamide
PubChem CID155302808
Molecular FormulaC18H21Cl2N3O6
Molecular Weight446.29 g/mol
Exact Mass445.08
IUPAC Name2-(3,4-dichlorophenoxy)-N-[(2S)-2-hydroxy-4-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]butyl]acetamide
SMILESCc1cc(OCC(=O)NCC[C@H](O)CNC(=O)COc2ccc(Cl)c(Cl)c2)no1
InChIInChI=1S/C18H21Cl2N3O6/c1-11-6-18(23-29-11)28-10-16(25)21-5-4-12(24)8-22-17(26)9-27-13-2-3-14(19)15(20)7-13/h2-3,6-7,12,24H,4-5,8-10H2,1H3,(H,21,25)(H,22,26)/t12-/m0/s1
InChIKeyVVCSWLVYWHKXPW-LBPRGKRZSA-N
XLogP1.73
TPSA122.92 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.29
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-(3,4-dichlorophenoxy)-N-[(2S)-2-hydroxy-4-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]butyl]acetamide 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

N-[(3S)-4-[[2-(3,4-dichlorophenoxy)acetyl]amino]-3-hydroxybutyl]-2,2-difluoro-1,3-benzodioxole-5-carboxamide
CID 155264658
2-(4-chloro-3-methylphenoxy)-N-(2-hydroxybutyl)acetamide
CID 66937964
N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-hydroxybutyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 155265110
N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-hydroxybutyl]-3-ethyl-1,2-oxazole-5-carboxamide
CID 155264683
N-(2-hydroxy-2-phenylethyl)-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide
CID 43394020
N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-hydroxybutyl]-3-(difluoromethyl)-1,2-oxazole-5-carboxamide
CID 155264893
3-tert-butyl-N-[(3S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-hydroxybutyl]-1,2-oxazole-5-carboxamide
CID 155264678
2-(4-chloro-3-fluorophenoxy)-N-[(3S)-4-[[2-(3-chlorophenoxy)acetyl]amino]-3-hydroxybutyl]acetamide
CID 155302933
N-[(3S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-hydroxybutyl]-2-[4-(difluoromethyl)phenoxy]acetamide
CID 138632447
2-(3,4-difluorophenoxy)-N-[4-[[2-(3,4-difluorophenoxy)acetyl]amino]-3-hydroxybutyl]acetamide
CID 138632756
N-(3-hydroxy-2-methylpropyl)-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide
CID 65034360
N-[(2S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-hydroxybutyl]-2-(4-chloro-N-methylanilino)acetamide
CID 155303138

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenoxy)-N-[(2S)-2-hydroxy-4-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]butyl]acetamide?
The IUPAC name of 2-(3,4-dichlorophenoxy)-N-[(2S)-2-hydroxy-4-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]butyl]acetamide (CID 155302808) is 2-(3,4-dichlorophenoxy)-N-[(2S)-2-hydroxy-4-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]butyl]acetamide.
What is the SMILES notation for 2-(3,4-dichlorophenoxy)-N-[(2S)-2-hydroxy-4-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]butyl]acetamide?
The canonical SMILES for 2-(3,4-dichlorophenoxy)-N-[(2S)-2-hydroxy-4-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]butyl]acetamide is Cc1cc(OCC(=O)NCC[C@H](O)CNC(=O)COc2ccc(Cl)c(Cl)c2)no1.
What is the InChIKey of 2-(3,4-dichlorophenoxy)-N-[(2S)-2-hydroxy-4-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]butyl]acetamide?
The InChIKey is VVCSWLVYWHKXPW-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H21Cl2N3O6/c1-11-6-18(23-29-11)28-10-16(25)21-5-4-12(24)8-22-17(26)9-27-13-2-3-14(19)15(20)7-13/h2-3,6-7,12,24H,4-5,8-10H2,1H3,(H,21,25)(H,22,26)/t12-/m0/s1.
What are the key properties of 2-(3,4-dichlorophenoxy)-N-[(2S)-2-hydroxy-4-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]butyl]acetamide?
2-(3,4-dichlorophenoxy)-N-[(2S)-2-hydroxy-4-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]butyl]acetamide has a molecular weight of 446.29 g/mol, XLogP of 1.73, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenoxy)-N-[(2S)-2-hydroxy-4-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]butyl]acetamide is sourced from PubChem (CID 155302808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).