5-chloro-N-[[3-[4-(3-methyl-2-oxo-1H-pyridin-4-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]thiophene-2-carboxamide

C21H18ClN3O3S — CID 69252896

IUPAC5-chloro-N-[[3-[4-(3-methyl-2-oxo-1H-pyridin-4-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]thiophene-2-carboxamide
SMILESCc1c(-c2ccc(C3=NOC(CNC(=O)c4ccc(Cl)s4)C3)cc2)cc[nH]c1=O
InChIInChI=1S/C21H18ClN3O3S/c1-12-16(8-9-23-20(12)26)13-2-4-14(5-3-13)17-10-15(28-25-17)11-24-21(27)18-6-7-19(22)29-18/h2-9,15H,10-11H2,1H3,(H,23,26)(H,24,27)
InChIKeyFJIOUEBQEQEBNR-UHFFFAOYSA-N
MW427.91 g/mol
LogP3.99
Rot. Bonds5

About 5-chloro-N-[[3-[4-(3-methyl-2-oxo-1H-pyridin-4-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]thiophene-2-carboxamide

5-chloro-N-[[3-[4-(3-methyl-2-oxo-1H-pyridin-4-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]thiophene-2-carboxamide (PubChem CID 69252896) has the molecular formula C21H18ClN3O3S and a molecular weight of 427.91 g/mol. Its IUPAC name is 5-chloro-N-[[3-[4-(3-methyl-2-oxo-1H-pyridin-4-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[[3-[4-(3-methyl-2-oxo-1H-pyridin-4-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]thiophene-2-carboxamide
PubChem CID69252896
Molecular FormulaC21H18ClN3O3S
Molecular Weight427.91 g/mol
Exact Mass427.08
IUPAC Name5-chloro-N-[[3-[4-(3-methyl-2-oxo-1H-pyridin-4-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]thiophene-2-carboxamide
SMILESCc1c(-c2ccc(C3=NOC(CNC(=O)c4ccc(Cl)s4)C3)cc2)cc[nH]c1=O
InChIInChI=1S/C21H18ClN3O3S/c1-12-16(8-9-23-20(12)26)13-2-4-14(5-3-13)17-10-15(28-25-17)11-24-21(27)18-6-7-19(22)29-18/h2-9,15H,10-11H2,1H3,(H,23,26)(H,24,27)
InChIKeyFJIOUEBQEQEBNR-UHFFFAOYSA-N
XLogP3.99
TPSA83.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.91
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-[[3-[4-(5-methoxy-2-oxo-1H-pyridin-3-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]thiophene-2-carboxamide
CID 69251890
5-chloro-N-[[3-[4-[formyl(propyl)amino]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]thiophene-2-carboxamide
CID 88591525
5-chloro-N-[[3-[4-(3-methoxy-2-oxo-1H-pyridin-4-yl)phenyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl]thiophene-2-carboxamide
CID 91540257
5-chloro-N-[[(5S)-3-[4-[3-[2-(2-hydroxyethylamino)ethoxy]-2-oxo-1H-pyridin-4-yl]-3,5-dimethylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 91386440
N-[[(5S)-3-[4-[3-(2-amino-2-oxoethoxy)-2-oxo-1H-pyridin-4-yl]-3-methylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-chlorothiophene-2-carboxamide
CID 91571365
5-chloro-N-[[3-[2-morpholin-4-yl-4-(pyrrolidine-1-carboximidoyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]thiophene-2-carboxamide
CID 11713077
N-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 167894639
N-[[(5S)-3-[4-[3-[2-(tert-butylamino)-2-oxoethoxy]-2-oxo-1H-pyridin-4-yl]-3-methylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-chlorothiophene-2-carboxamide
CID 91395371
tert-butyl N-[[(5R)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]carbamate
CID 124709444
5-chloro-N-[[(5S)-3-[4-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 25114063
N-[[3-[4-(2-oxothian-4-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide
CID 70127084
5-chloro-N-[[3-[4-(1,3-dimethyl-5,6-dihydro-1,2,4-triazin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 74930689

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[3-[4-(3-methyl-2-oxo-1H-pyridin-4-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[[3-[4-(3-methyl-2-oxo-1H-pyridin-4-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]thiophene-2-carboxamide (CID 69252896) is 5-chloro-N-[[3-[4-(3-methyl-2-oxo-1H-pyridin-4-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[[3-[4-(3-methyl-2-oxo-1H-pyridin-4-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[[3-[4-(3-methyl-2-oxo-1H-pyridin-4-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]thiophene-2-carboxamide is Cc1c(-c2ccc(C3=NOC(CNC(=O)c4ccc(Cl)s4)C3)cc2)cc[nH]c1=O.
What is the InChIKey of 5-chloro-N-[[3-[4-(3-methyl-2-oxo-1H-pyridin-4-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]thiophene-2-carboxamide?
The InChIKey is FJIOUEBQEQEBNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O3S/c1-12-16(8-9-23-20(12)26)13-2-4-14(5-3-13)17-10-15(28-25-17)11-24-21(27)18-6-7-19(22)29-18/h2-9,15H,10-11H2,1H3,(H,23,26)(H,24,27).
What are the key properties of 5-chloro-N-[[3-[4-(3-methyl-2-oxo-1H-pyridin-4-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]thiophene-2-carboxamide?
5-chloro-N-[[3-[4-(3-methyl-2-oxo-1H-pyridin-4-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]thiophene-2-carboxamide has a molecular weight of 427.91 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[3-[4-(3-methyl-2-oxo-1H-pyridin-4-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 69252896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).