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

C20H20N4O4S — CID 1000404

IUPACN-[1-[4-(methanesulfonamido)phenyl]ethylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCC(=NNC(=O)c1c(-c2ccccc2)noc1C)c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C20H20N4O4S/c1-13(15-9-11-17(12-10-15)24-29(3,26)27)21-22-20(25)18-14(2)28-23-19(18)16-7-5-4-6-8-16/h4-12,24H,1-3H3,(H,22,25)
InChIKeyZTXHZHFSQJTYGC-UHFFFAOYSA-N
MW412.47 g/mol
LogP3.18
Rot. Bonds6

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

N-[1-[4-(methanesulfonamido)phenyl]ethylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 1000404) has the molecular formula C20H20N4O4S and a molecular weight of 412.47 g/mol. Its IUPAC name is N-[1-[4-(methanesulfonamido)phenyl]ethylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(methanesulfonamido)phenyl]ethylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID1000404
Molecular FormulaC20H20N4O4S
Molecular Weight412.47 g/mol
Exact Mass412.12
IUPAC NameN-[1-[4-(methanesulfonamido)phenyl]ethylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCC(=NNC(=O)c1c(-c2ccccc2)noc1C)c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C20H20N4O4S/c1-13(15-9-11-17(12-10-15)24-29(3,26)27)21-22-20(25)18-14(2)28-23-19(18)16-7-5-4-6-8-16/h4-12,24H,1-3H3,(H,22,25)
InChIKeyZTXHZHFSQJTYGC-UHFFFAOYSA-N
XLogP3.18
TPSA113.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-methyl-3-phenyl-N-(propan-2-ylideneamino)-1,2-oxazole-4-carboxamide
CID 165343278
N-[1-[3-(methanesulfonamido)phenyl]ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 60512827
5-methyl-3-phenyl-N-[[(E)-3-phenylprop-2-enylidene]amino]-1,2-oxazole-4-carboxamide
CID 16745878
N-[(4-bromophenyl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 1219034
N-[(Z)-furan-2-ylmethylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 5372739
N-(3-iodo-4-methylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 2649068
N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 6895269
N-[(2,3-dichlorophenyl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 3302344
N-[[3-(methanesulfonamidomethyl)phenyl]methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 167854783
N-[(3-chlorophenyl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 1219053
N-(4,5-dimethyl-1,2-oxazol-3-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 138046221
N-[(E)-1-(3-acetamidophenyl)ethylideneamino]-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 5432420

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(methanesulfonamido)phenyl]ethylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[1-[4-(methanesulfonamido)phenyl]ethylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (CID 1000404) is N-[1-[4-(methanesulfonamido)phenyl]ethylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[1-[4-(methanesulfonamido)phenyl]ethylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[1-[4-(methanesulfonamido)phenyl]ethylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is CC(=NNC(=O)c1c(-c2ccccc2)noc1C)c1ccc(NS(C)(=O)=O)cc1.
What is the InChIKey of N-[1-[4-(methanesulfonamido)phenyl]ethylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is ZTXHZHFSQJTYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4S/c1-13(15-9-11-17(12-10-15)24-29(3,26)27)21-22-20(25)18-14(2)28-23-19(18)16-7-5-4-6-8-16/h4-12,24H,1-3H3,(H,22,25).
What are the key properties of N-[1-[4-(methanesulfonamido)phenyl]ethylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
N-[1-[4-(methanesulfonamido)phenyl]ethylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 412.47 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(methanesulfonamido)phenyl]ethylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 1000404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).