N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methoxyphenyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide

C18H23N3O5S — CID 110623063

IUPACN-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methoxyphenyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
SMILESCOc1cc(NC(=O)c2c(C)noc2C(C)C)ccc1N1CCCS1(=O)=O
InChIInChI=1S/C18H23N3O5S/c1-11(2)17-16(12(3)20-26-17)18(22)19-13-6-7-14(15(10-13)25-4)21-8-5-9-27(21,23)24/h6-7,10-11H,5,8-9H2,1-4H3,(H,19,22)
InChIKeyQRVFOTBYSVSUNQ-UHFFFAOYSA-N
MW393.47 g/mol
LogP2.91
Rot. Bonds5

About N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methoxyphenyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide

N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methoxyphenyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide (PubChem CID 110623063) has the molecular formula C18H23N3O5S and a molecular weight of 393.47 g/mol. Its IUPAC name is N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methoxyphenyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methoxyphenyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
PubChem CID110623063
Molecular FormulaC18H23N3O5S
Molecular Weight393.47 g/mol
Exact Mass393.14
IUPAC NameN-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methoxyphenyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
SMILESCOc1cc(NC(=O)c2c(C)noc2C(C)C)ccc1N1CCCS1(=O)=O
InChIInChI=1S/C18H23N3O5S/c1-11(2)17-16(12(3)20-26-17)18(22)19-13-6-7-14(15(10-13)25-4)21-8-5-9-27(21,23)24/h6-7,10-11H,5,8-9H2,1-4H3,(H,19,22)
InChIKeyQRVFOTBYSVSUNQ-UHFFFAOYSA-N
XLogP2.91
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-5-propan-2-yl-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-4-carboxamide
CID 26700940
2-cyclopropyl-N-[4-(1,1-dioxothiazinan-2-yl)-3-methoxyphenyl]propanamide
CID 110622906
N'-[4-(1,1-dioxothiazinan-2-yl)-3-methoxyphenyl]-N-(2-hydroxypropyl)oxamide
CID 75269759
1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methoxyphenyl]-3-(3-methylbutyl)urea
CID 110303656
1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methoxyphenyl]-3-(oxan-4-yl)urea
CID 110623074
trans-(1S,3S)-3-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methoxyphenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 95391091
N-[4-(1,1-dioxothiazinan-2-yl)-3-methoxyphenyl]-2-fluorobenzamide
CID 112505411
N-(3-chloro-4-methylphenyl)-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 9068444
1-cyclohexyl-3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methoxyphenyl]urea
CID 112505703
1-(3-chlorophenyl)-3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methoxyphenyl]urea
CID 112505706
3-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 26700942
N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 9270594

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methoxyphenyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methoxyphenyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide (CID 110623063) is N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methoxyphenyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methoxyphenyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methoxyphenyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide is COc1cc(NC(=O)c2c(C)noc2C(C)C)ccc1N1CCCS1(=O)=O.
What is the InChIKey of N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methoxyphenyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide?
The InChIKey is QRVFOTBYSVSUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O5S/c1-11(2)17-16(12(3)20-26-17)18(22)19-13-6-7-14(15(10-13)25-4)21-8-5-9-27(21,23)24/h6-7,10-11H,5,8-9H2,1-4H3,(H,19,22).
What are the key properties of N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methoxyphenyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide?
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methoxyphenyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide has a molecular weight of 393.47 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methoxyphenyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 110623063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).