N-[[(5R)-3-(3-fluoro-4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]thiophene-3-carboxamide

C16H15FN2O3S — CID 100747615

IUPACN-[[(5R)-3-(3-fluoro-4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]thiophene-3-carboxamide
SMILESCOc1ccc(C2=NO[C@@H](CNC(=O)c3ccsc3)C2)cc1F
InChIInChI=1S/C16H15FN2O3S/c1-21-15-3-2-10(6-13(15)17)14-7-12(22-19-14)8-18-16(20)11-4-5-23-9-11/h2-6,9,12H,7-8H2,1H3,(H,18,20)/t12-/m1/s1
InChIKeyKRDOFSSBLALVKT-GFCCVEGCSA-N
MW334.37 g/mol
LogP2.82
Rot. Bonds5

About N-[[(5R)-3-(3-fluoro-4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]thiophene-3-carboxamide

N-[[(5R)-3-(3-fluoro-4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]thiophene-3-carboxamide (PubChem CID 100747615) has the molecular formula C16H15FN2O3S and a molecular weight of 334.37 g/mol. Its IUPAC name is N-[[(5R)-3-(3-fluoro-4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[[(5R)-3-(3-fluoro-4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]thiophene-3-carboxamide
PubChem CID100747615
Molecular FormulaC16H15FN2O3S
Molecular Weight334.37 g/mol
Exact Mass334.08
IUPAC NameN-[[(5R)-3-(3-fluoro-4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]thiophene-3-carboxamide
SMILESCOc1ccc(C2=NO[C@@H](CNC(=O)c3ccsc3)C2)cc1F
InChIInChI=1S/C16H15FN2O3S/c1-21-15-3-2-10(6-13(15)17)14-7-12(22-19-14)8-18-16(20)11-4-5-23-9-11/h2-6,9,12H,7-8H2,1H3,(H,18,20)/t12-/m1/s1
InChIKeyKRDOFSSBLALVKT-GFCCVEGCSA-N
XLogP2.82
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[(5R)-3-(3-fluoro-4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]thiophene-3-carboxamide with MolForge

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Related Compounds

1-(cyclopropylmethyl)-3-[[(5S)-3-(3-fluoro-4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea
CID 124739703
N-[[3-[4-[4-[5-(acetamidomethyl)-4,5-dihydro-1,2-oxazol-3-yl]-2-fluorophenyl]-3-fluorophenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide
CID 59749473
3-(3-fluoro-4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 65096147
N-[[7-chloro-5-(2,5-dimethoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]thiophene-3-carboxamide
CID 45209844
2,2,2-trifluoro-N-[[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide
CID 42648392
N-[[3-[3-fluoro-4-(oxan-4-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide
CID 18698726
(3-fluoro-4-methoxyphenyl)methyl 4-(thiophene-3-carbonylamino)butanoate
CID 55375350
N-[[(5S)-3-(3,4-dimethoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-fluoro-N-[(3-fluorophenyl)methyl]benzamide
CID 93307709
N-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 167894639
[3-(4-methoxy-3-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine;hydrochloride
CID 102555158
tert-butyl N-[[(5R)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]carbamate
CID 124709444
[3-(3,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol
CID 22022982

Frequently Asked Questions

What is the IUPAC name of N-[[(5R)-3-(3-fluoro-4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]thiophene-3-carboxamide?
The IUPAC name of N-[[(5R)-3-(3-fluoro-4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]thiophene-3-carboxamide (CID 100747615) is N-[[(5R)-3-(3-fluoro-4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[[(5R)-3-(3-fluoro-4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]thiophene-3-carboxamide?
The canonical SMILES for N-[[(5R)-3-(3-fluoro-4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]thiophene-3-carboxamide is COc1ccc(C2=NO[C@@H](CNC(=O)c3ccsc3)C2)cc1F.
What is the InChIKey of N-[[(5R)-3-(3-fluoro-4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]thiophene-3-carboxamide?
The InChIKey is KRDOFSSBLALVKT-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H15FN2O3S/c1-21-15-3-2-10(6-13(15)17)14-7-12(22-19-14)8-18-16(20)11-4-5-23-9-11/h2-6,9,12H,7-8H2,1H3,(H,18,20)/t12-/m1/s1.
What are the key properties of N-[[(5R)-3-(3-fluoro-4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]thiophene-3-carboxamide?
N-[[(5R)-3-(3-fluoro-4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]thiophene-3-carboxamide has a molecular weight of 334.37 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5R)-3-(3-fluoro-4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]thiophene-3-carboxamide is sourced from PubChem (CID 100747615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).