N-[3-(2-methylpropanoylamino)phenyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

C18H17N3O3S — CID 55609816

IUPACN-[3-(2-methylpropanoylamino)phenyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESCC(C)C(=O)Nc1cccc(NC(=O)c2cc(-c3cccs3)on2)c1
InChIInChI=1S/C18H17N3O3S/c1-11(2)17(22)19-12-5-3-6-13(9-12)20-18(23)14-10-15(24-21-14)16-7-4-8-25-16/h3-11H,1-2H3,(H,19,22)(H,20,23)
InChIKeyFAMFZQJFWPMFDY-UHFFFAOYSA-N
MW355.42 g/mol
LogP4.25
Rot. Bonds5

About N-[3-(2-methylpropanoylamino)phenyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

N-[3-(2-methylpropanoylamino)phenyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 55609816) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is N-[3-(2-methylpropanoylamino)phenyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(2-methylpropanoylamino)phenyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
PubChem CID55609816
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC NameN-[3-(2-methylpropanoylamino)phenyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESCC(C)C(=O)Nc1cccc(NC(=O)c2cc(-c3cccs3)on2)c1
InChIInChI=1S/C18H17N3O3S/c1-11(2)17(22)19-12-5-3-6-13(9-12)20-18(23)14-10-15(24-21-14)16-7-4-8-25-16/h3-11H,1-2H3,(H,19,22)(H,20,23)
InChIKeyFAMFZQJFWPMFDY-UHFFFAOYSA-N
XLogP4.25
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-acetylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 17253076
N-(4-acetylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 17253069
N-(4-bromophenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 3337766
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 4777058
N-(1-hydroxypropan-2-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 43418627
N-(4-methyl-2-oxochromen-7-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 17022321
N-[3-[(4-chlorophenyl)methoxy]phenyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 71493009
(2S)-3-methyl-2-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]butanoic acid
CID 61137275
(2R)-3-methyl-2-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]butanoic acid
CID 79010933
ethyl 4-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]benzoate
CID 17013196
N-(2-hydroxy-3-methylbutyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 115744558
methyl 3-methyl-2-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]butanoate
CID 43422688

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylpropanoylamino)phenyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[3-(2-methylpropanoylamino)phenyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (CID 55609816) is N-[3-(2-methylpropanoylamino)phenyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[3-(2-methylpropanoylamino)phenyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[3-(2-methylpropanoylamino)phenyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is CC(C)C(=O)Nc1cccc(NC(=O)c2cc(-c3cccs3)on2)c1.
What is the InChIKey of N-[3-(2-methylpropanoylamino)phenyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is FAMFZQJFWPMFDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S/c1-11(2)17(22)19-12-5-3-6-13(9-12)20-18(23)14-10-15(24-21-14)16-7-4-8-25-16/h3-11H,1-2H3,(H,19,22)(H,20,23).
What are the key properties of N-[3-(2-methylpropanoylamino)phenyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
N-[3-(2-methylpropanoylamino)phenyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 355.42 g/mol, XLogP of 4.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylpropanoylamino)phenyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 55609816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).