N-(4-chloro-3-methoxyphenyl)-2-[[(1R)-1-(3-ethyl-1,2-oxazol-5-yl)ethyl]amino]acetamide

C16H20ClN3O3 — CID 95130994

IUPACN-(4-chloro-3-methoxyphenyl)-2-[[(1R)-1-(3-ethyl-1,2-oxazol-5-yl)ethyl]amino]acetamide
SMILESCCc1cc([C@@H](C)NCC(=O)Nc2ccc(Cl)c(OC)c2)on1
InChIInChI=1S/C16H20ClN3O3/c1-4-11-7-14(23-20-11)10(2)18-9-16(21)19-12-5-6-13(17)15(8-12)22-3/h5-8,10,18H,4,9H2,1-3H3,(H,19,21)/t10-/m1/s1
InChIKeyZECLHMSCBZEEPZ-SNVBAGLBSA-N
MW337.81 g/mol
LogP3.19
Rot. Bonds7

About N-(4-chloro-3-methoxyphenyl)-2-[[(1R)-1-(3-ethyl-1,2-oxazol-5-yl)ethyl]amino]acetamide

N-(4-chloro-3-methoxyphenyl)-2-[[(1R)-1-(3-ethyl-1,2-oxazol-5-yl)ethyl]amino]acetamide (PubChem CID 95130994) has the molecular formula C16H20ClN3O3 and a molecular weight of 337.81 g/mol. Its IUPAC name is N-(4-chloro-3-methoxyphenyl)-2-[[(1R)-1-(3-ethyl-1,2-oxazol-5-yl)ethyl]amino]acetamide.

Molecular Properties

Compound NameN-(4-chloro-3-methoxyphenyl)-2-[[(1R)-1-(3-ethyl-1,2-oxazol-5-yl)ethyl]amino]acetamide
PubChem CID95130994
Molecular FormulaC16H20ClN3O3
Molecular Weight337.81 g/mol
Exact Mass337.12
IUPAC NameN-(4-chloro-3-methoxyphenyl)-2-[[(1R)-1-(3-ethyl-1,2-oxazol-5-yl)ethyl]amino]acetamide
SMILESCCc1cc([C@@H](C)NCC(=O)Nc2ccc(Cl)c(OC)c2)on1
InChIInChI=1S/C16H20ClN3O3/c1-4-11-7-14(23-20-11)10(2)18-9-16(21)19-12-5-6-13(17)15(8-12)22-3/h5-8,10,18H,4,9H2,1-3H3,(H,19,21)/t10-/m1/s1
InChIKeyZECLHMSCBZEEPZ-SNVBAGLBSA-N
XLogP3.19
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(4-chloro-3-methoxyphenyl)-2-[[(1R)-1-(3-ethyl-1,2-oxazol-5-yl)ethyl]amino]acetamide with MolForge

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Related Compounds

2-amino-N-(4-chloro-3-methoxyphenyl)-6-ethylpyridine-4-carboxamide
CID 107623056
N-(4-chloro-3-methoxyphenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 99842279
4-amino-N-(4-chloro-3-methoxyphenyl)pentanamide
CID 107621685
N-(3,4-dichlorophenyl)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetamide
CID 8917918
N-(3-chloro-4-methoxyphenyl)-2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]acetamide
CID 9306824
(2R)-2-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]propanoic acid
CID 83194842
2-chloroacetyl chloride;2-chloro-N-(4-chloro-3-methoxyphenyl)acetamide
CID 143179500
2-(3,4-dichloroanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 9098792
2-chloro-N-(4-chloro-3-methoxyphenyl)propanamide
CID 107621348
2-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]-3-methylbutanoic acid
CID 43468596
N-(4-chloro-3-methoxyphenyl)-5-hydroxypentanamide
CID 107623363
2-(4-chloro-2,5-dimethoxyanilino)-N-(3,4-dichlorophenyl)acetamide
CID 9106808

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-methoxyphenyl)-2-[[(1R)-1-(3-ethyl-1,2-oxazol-5-yl)ethyl]amino]acetamide?
The IUPAC name of N-(4-chloro-3-methoxyphenyl)-2-[[(1R)-1-(3-ethyl-1,2-oxazol-5-yl)ethyl]amino]acetamide (CID 95130994) is N-(4-chloro-3-methoxyphenyl)-2-[[(1R)-1-(3-ethyl-1,2-oxazol-5-yl)ethyl]amino]acetamide.
What is the SMILES notation for N-(4-chloro-3-methoxyphenyl)-2-[[(1R)-1-(3-ethyl-1,2-oxazol-5-yl)ethyl]amino]acetamide?
The canonical SMILES for N-(4-chloro-3-methoxyphenyl)-2-[[(1R)-1-(3-ethyl-1,2-oxazol-5-yl)ethyl]amino]acetamide is CCc1cc([C@@H](C)NCC(=O)Nc2ccc(Cl)c(OC)c2)on1.
What is the InChIKey of N-(4-chloro-3-methoxyphenyl)-2-[[(1R)-1-(3-ethyl-1,2-oxazol-5-yl)ethyl]amino]acetamide?
The InChIKey is ZECLHMSCBZEEPZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H20ClN3O3/c1-4-11-7-14(23-20-11)10(2)18-9-16(21)19-12-5-6-13(17)15(8-12)22-3/h5-8,10,18H,4,9H2,1-3H3,(H,19,21)/t10-/m1/s1.
What are the key properties of N-(4-chloro-3-methoxyphenyl)-2-[[(1R)-1-(3-ethyl-1,2-oxazol-5-yl)ethyl]amino]acetamide?
N-(4-chloro-3-methoxyphenyl)-2-[[(1R)-1-(3-ethyl-1,2-oxazol-5-yl)ethyl]amino]acetamide has a molecular weight of 337.81 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-methoxyphenyl)-2-[[(1R)-1-(3-ethyl-1,2-oxazol-5-yl)ethyl]amino]acetamide is sourced from PubChem (CID 95130994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).