N-[1-[3-(methanesulfonamido)phenyl]ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

C20H21N3O4S — CID 60512827

IUPACN-[1-[3-(methanesulfonamido)phenyl]ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)NC(C)c1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C20H21N3O4S/c1-13(16-10-7-11-17(12-16)23-28(3,25)26)21-20(24)18-14(2)27-22-19(18)15-8-5-4-6-9-15/h4-13,23H,1-3H3,(H,21,24)
InChIKeyJXMAYJWMBNGLLM-UHFFFAOYSA-N
MW399.47 g/mol
LogP3.51
Rot. Bonds6

About N-[1-[3-(methanesulfonamido)phenyl]ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

N-[1-[3-(methanesulfonamido)phenyl]ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 60512827) has the molecular formula C20H21N3O4S and a molecular weight of 399.47 g/mol. Its IUPAC name is N-[1-[3-(methanesulfonamido)phenyl]ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-[3-(methanesulfonamido)phenyl]ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID60512827
Molecular FormulaC20H21N3O4S
Molecular Weight399.47 g/mol
Exact Mass399.13
IUPAC NameN-[1-[3-(methanesulfonamido)phenyl]ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)NC(C)c1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C20H21N3O4S/c1-13(16-10-7-11-17(12-16)23-28(3,25)26)21-20(24)18-14(2)27-22-19(18)15-8-5-4-6-9-15/h4-13,23H,1-3H3,(H,21,24)
InChIKeyJXMAYJWMBNGLLM-UHFFFAOYSA-N
XLogP3.51
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-methoxyphenyl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 17330097
N-[1-(furan-2-yl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 18110349
5-methyl-3-phenyl-N-[(1R)-1-thiophen-2-ylethyl]-1,2-oxazole-4-carboxamide
CID 40819505
N-[1-[4-(methanesulfonamido)phenyl]ethylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 1000404
N-(3-chlorophenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 873609
5-methyl-3-phenyl-N-(4-phenylbutan-2-yl)-1,2-oxazole-4-carboxamide
CID 2915253
N-[(1R)-1-[3-(methanesulfonamido)phenyl]ethyl]-1-benzothiophene-2-carboxamide
CID 51942414
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 25373344
N-[[3-(methanesulfonamidomethyl)phenyl]methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 167854783
1-ethyl-3-[(1R)-1-[3-(methanesulfonamido)phenyl]ethyl]urea
CID 94196351
N-[1-[3-(methanesulfonamido)phenyl]ethyl]-3-(propanoylamino)benzamide
CID 55837471
N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 23728869

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(methanesulfonamido)phenyl]ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[1-[3-(methanesulfonamido)phenyl]ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (CID 60512827) is N-[1-[3-(methanesulfonamido)phenyl]ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[1-[3-(methanesulfonamido)phenyl]ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[1-[3-(methanesulfonamido)phenyl]ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2)c1C(=O)NC(C)c1cccc(NS(C)(=O)=O)c1.
What is the InChIKey of N-[1-[3-(methanesulfonamido)phenyl]ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is JXMAYJWMBNGLLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4S/c1-13(16-10-7-11-17(12-16)23-28(3,25)26)21-20(24)18-14(2)27-22-19(18)15-8-5-4-6-9-15/h4-13,23H,1-3H3,(H,21,24).
What are the key properties of N-[1-[3-(methanesulfonamido)phenyl]ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
N-[1-[3-(methanesulfonamido)phenyl]ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 399.47 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(methanesulfonamido)phenyl]ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 60512827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).