N-[[2-[4-(furan-3-carbonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide

C21H18N4O4S — CID 42191179

IUPACN-[[2-[4-(furan-3-carbonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NCc2nc(-c3ccc(NC(=O)c4ccoc4)cc3)oc2C)cs1
InChIInChI=1S/C21H18N4O4S/c1-12-17(9-22-20(27)18-11-30-13(2)23-18)25-21(29-12)14-3-5-16(6-4-14)24-19(26)15-7-8-28-10-15/h3-8,10-11H,9H2,1-2H3,(H,22,27)(H,24,26)
InChIKeyWLGXCQNHRZIGIT-UHFFFAOYSA-N
MW422.47 g/mol
LogP4.19
Rot. Bonds6

About N-[[2-[4-(furan-3-carbonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide

N-[[2-[4-(furan-3-carbonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide (PubChem CID 42191179) has the molecular formula C21H18N4O4S and a molecular weight of 422.47 g/mol. Its IUPAC name is N-[[2-[4-(furan-3-carbonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[[2-[4-(furan-3-carbonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide
PubChem CID42191179
Molecular FormulaC21H18N4O4S
Molecular Weight422.47 g/mol
Exact Mass422.10
IUPAC NameN-[[2-[4-(furan-3-carbonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NCc2nc(-c3ccc(NC(=O)c4ccoc4)cc3)oc2C)cs1
InChIInChI=1S/C21H18N4O4S/c1-12-17(9-22-20(27)18-11-30-13(2)23-18)25-21(29-12)14-3-5-16(6-4-14)24-19(26)15-7-8-28-10-15/h3-8,10-11H,9H2,1-2H3,(H,22,27)(H,24,26)
InChIKeyWLGXCQNHRZIGIT-UHFFFAOYSA-N
XLogP4.19
TPSA110.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.47
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[[2-[4-(furan-3-carbonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzamide
CID 20955421
N-[[2-[4-[[5-(methoxymethyl)furan-2-carbonyl]amino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-1,2,5-thiadiazole-3-carboxamide
CID 26347714
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 18282283
N-[[2-[4-[[5-(methoxymethyl)furan-2-carbonyl]amino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-1,5-dimethylpyrazole-3-carboxamide
CID 26275930
N-[4-[5-methyl-4-[[(2-thiophen-2-ylacetyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]-2-phenylacetamide
CID 42245990
1-(3,5-dimethylphenyl)-3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]urea
CID 20955580
1-(4-fluorophenyl)-3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]urea
CID 20955490
3,5-difluoro-N-[4-[5-methyl-4-(pyrazol-1-ylmethyl)-1,3-oxazol-2-yl]phenyl]benzamide
CID 71837442
3-methyl-N-[4-[5-methyl-4-(pyrazol-1-ylmethyl)-1,3-oxazol-2-yl]phenyl]benzamide
CID 71837420
4-fluoro-N-[4-[5-methyl-4-[(4-methylpyrazol-1-yl)methyl]-1,3-oxazol-2-yl]phenyl]benzamide
CID 71837391
1-(4-ethoxyphenyl)-3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]urea
CID 20955528
N-[4-[4-[[(4-ethenylbenzoyl)amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-5-(methoxymethyl)furan-2-carboxamide
CID 118754618

Frequently Asked Questions

What is the IUPAC name of N-[[2-[4-(furan-3-carbonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[[2-[4-(furan-3-carbonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide (CID 42191179) is N-[[2-[4-(furan-3-carbonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[[2-[4-(furan-3-carbonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[[2-[4-(furan-3-carbonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)NCc2nc(-c3ccc(NC(=O)c4ccoc4)cc3)oc2C)cs1.
What is the InChIKey of N-[[2-[4-(furan-3-carbonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is WLGXCQNHRZIGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O4S/c1-12-17(9-22-20(27)18-11-30-13(2)23-18)25-21(29-12)14-3-5-16(6-4-14)24-19(26)15-7-8-28-10-15/h3-8,10-11H,9H2,1-2H3,(H,22,27)(H,24,26).
What are the key properties of N-[[2-[4-(furan-3-carbonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide?
N-[[2-[4-(furan-3-carbonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 422.47 g/mol, XLogP of 4.19, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[4-(furan-3-carbonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 42191179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).