N-propyl-5-[[4-(thiophene-2-carbonylamino)phenoxy]methyl]-1,2-oxazole-3-carboxamide

C19H19N3O4S — CID 53110194

IUPACN-propyl-5-[[4-(thiophene-2-carbonylamino)phenoxy]methyl]-1,2-oxazole-3-carboxamide
SMILESCCCNC(=O)c1cc(COc2ccc(NC(=O)c3cccs3)cc2)on1
InChIInChI=1S/C19H19N3O4S/c1-2-9-20-18(23)16-11-15(26-22-16)12-25-14-7-5-13(6-8-14)21-19(24)17-4-3-10-27-17/h3-8,10-11H,2,9,12H2,1H3,(H,20,23)(H,21,24)
InChIKeyOBUNCWYSIXIUTC-UHFFFAOYSA-N
MW385.45 g/mol
LogP3.71
Rot. Bonds8

About N-propyl-5-[[4-(thiophene-2-carbonylamino)phenoxy]methyl]-1,2-oxazole-3-carboxamide

N-propyl-5-[[4-(thiophene-2-carbonylamino)phenoxy]methyl]-1,2-oxazole-3-carboxamide (PubChem CID 53110194) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is N-propyl-5-[[4-(thiophene-2-carbonylamino)phenoxy]methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-propyl-5-[[4-(thiophene-2-carbonylamino)phenoxy]methyl]-1,2-oxazole-3-carboxamide
PubChem CID53110194
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC NameN-propyl-5-[[4-(thiophene-2-carbonylamino)phenoxy]methyl]-1,2-oxazole-3-carboxamide
SMILESCCCNC(=O)c1cc(COc2ccc(NC(=O)c3cccs3)cc2)on1
InChIInChI=1S/C19H19N3O4S/c1-2-9-20-18(23)16-11-15(26-22-16)12-25-14-7-5-13(6-8-14)21-19(24)17-4-3-10-27-17/h3-8,10-11H,2,9,12H2,1H3,(H,20,23)(H,21,24)
InChIKeyOBUNCWYSIXIUTC-UHFFFAOYSA-N
XLogP3.71
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[4-[(4-fluorobenzoyl)amino]phenoxy]methyl]-N-propyl-1,2-oxazole-3-carboxamide
CID 53110074
5-[[4-(butanoylamino)phenoxy]methyl]-N-(3-phenylpropyl)-1,2-oxazole-3-carboxamide
CID 53110053
5-[[4-[(4-chlorobenzoyl)amino]phenoxy]methyl]-N-(2-methoxyethyl)-1,2-oxazole-3-carboxamide
CID 53110324
5-[[4-(2,2-dimethylpropanoylamino)phenoxy]methyl]-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide
CID 53110220
5-[[4-[(4-methylbenzoyl)amino]phenoxy]methyl]-N-(3-methylbutyl)-1,2-oxazole-3-carboxamide
CID 53110019
5-[(4-benzamidophenoxy)methyl]-N-benzyl-1,2-oxazole-3-carboxamide
CID 53010732
5-[[4-(propanoylamino)phenoxy]methyl]-N-prop-2-enyl-1,2-oxazole-3-carboxamide
CID 53110206
N-(3-methoxypropyl)-5-[[4-(2-methylpropanoylamino)phenoxy]methyl]-1,2-oxazole-3-carboxamide
CID 53110137
5-[[4-[(4-fluorobenzoyl)amino]phenoxy]methyl]-N-(3-methylbutyl)-1,2-oxazole-3-carboxamide
CID 53110056
5-[[4-[(2-methoxybenzoyl)amino]phenoxy]methyl]-N-(3-methylbutyl)-1,2-oxazole-3-carboxamide
CID 53110258
N-[4-[2-(4-methoxyphenoxy)ethylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 8935656
5-[[4-(butanoylamino)phenoxy]methyl]-N-propan-2-yl-1,2-oxazole-3-carboxamide
CID 53110041

Frequently Asked Questions

What is the IUPAC name of N-propyl-5-[[4-(thiophene-2-carbonylamino)phenoxy]methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-propyl-5-[[4-(thiophene-2-carbonylamino)phenoxy]methyl]-1,2-oxazole-3-carboxamide (CID 53110194) is N-propyl-5-[[4-(thiophene-2-carbonylamino)phenoxy]methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-propyl-5-[[4-(thiophene-2-carbonylamino)phenoxy]methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-propyl-5-[[4-(thiophene-2-carbonylamino)phenoxy]methyl]-1,2-oxazole-3-carboxamide is CCCNC(=O)c1cc(COc2ccc(NC(=O)c3cccs3)cc2)on1.
What is the InChIKey of N-propyl-5-[[4-(thiophene-2-carbonylamino)phenoxy]methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is OBUNCWYSIXIUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S/c1-2-9-20-18(23)16-11-15(26-22-16)12-25-14-7-5-13(6-8-14)21-19(24)17-4-3-10-27-17/h3-8,10-11H,2,9,12H2,1H3,(H,20,23)(H,21,24).
What are the key properties of N-propyl-5-[[4-(thiophene-2-carbonylamino)phenoxy]methyl]-1,2-oxazole-3-carboxamide?
N-propyl-5-[[4-(thiophene-2-carbonylamino)phenoxy]methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 385.45 g/mol, XLogP of 3.71, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-5-[[4-(thiophene-2-carbonylamino)phenoxy]methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 53110194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).