N-[3-[(4-chlorophenyl)methoxy]phenyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

C21H15ClN2O3S — CID 71493009

IUPACN-[3-[(4-chlorophenyl)methoxy]phenyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1cccc(OCc2ccc(Cl)cc2)c1)c1cc(-c2cccs2)on1
InChIInChI=1S/C21H15ClN2O3S/c22-15-8-6-14(7-9-15)13-26-17-4-1-3-16(11-17)23-21(25)18-12-19(27-24-18)20-5-2-10-28-20/h1-12H,13H2,(H,23,25)
InChIKeySBGLQAQXCFSOPB-UHFFFAOYSA-N
MW410.88 g/mol
LogP5.89
Rot. Bonds6

About N-[3-[(4-chlorophenyl)methoxy]phenyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

N-[3-[(4-chlorophenyl)methoxy]phenyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 71493009) has the molecular formula C21H15ClN2O3S and a molecular weight of 410.88 g/mol. Its IUPAC name is N-[3-[(4-chlorophenyl)methoxy]phenyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(4-chlorophenyl)methoxy]phenyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
PubChem CID71493009
Molecular FormulaC21H15ClN2O3S
Molecular Weight410.88 g/mol
Exact Mass410.05
IUPAC NameN-[3-[(4-chlorophenyl)methoxy]phenyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1cccc(OCc2ccc(Cl)cc2)c1)c1cc(-c2cccs2)on1
InChIInChI=1S/C21H15ClN2O3S/c22-15-8-6-14(7-9-15)13-26-17-4-1-3-16(11-17)23-21(25)18-12-19(27-24-18)20-5-2-10-28-20/h1-12H,13H2,(H,23,25)
InChIKeySBGLQAQXCFSOPB-UHFFFAOYSA-N
XLogP5.89
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.88
LogP ≤ 55.89
H-Bond Donors ≤ 51
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-[3-[(4-chlorophenyl)methoxy]phenyl]-2-(pyridin-4-ylamino)pyrimidine-4-carboxamide
CID 66549600
N-[3-(2-methylpropanoylamino)phenyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 55609816
2-[3-[(4-chlorophenyl)methoxy]phenyl]-N-phenyl-1,3-thiazole-4-carboxamide
CID 46066640
N-(4-bromophenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 3337766
1-[3-[(4-chlorophenyl)methoxy]phenyl]-3-(3-hydroxypropyl)urea
CID 111117109
N-(2-chloro-3-pyridinyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 3337765
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 4777058
ethyl 4-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]benzoate
CID 17013196
N-(2-pyrrolidin-1-ylpyrimidin-5-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 122298311
4-amino-N-[3-[(4-chlorophenyl)methoxy]phenyl]pentanamide
CID 120562632
N-[3-(2-amino-2-oxoethoxy)phenyl]-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 33266017

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-chlorophenyl)methoxy]phenyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[3-[(4-chlorophenyl)methoxy]phenyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (CID 71493009) is N-[3-[(4-chlorophenyl)methoxy]phenyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[3-[(4-chlorophenyl)methoxy]phenyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[3-[(4-chlorophenyl)methoxy]phenyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is O=C(Nc1cccc(OCc2ccc(Cl)cc2)c1)c1cc(-c2cccs2)on1.
What is the InChIKey of N-[3-[(4-chlorophenyl)methoxy]phenyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is SBGLQAQXCFSOPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN2O3S/c22-15-8-6-14(7-9-15)13-26-17-4-1-3-16(11-17)23-21(25)18-12-19(27-24-18)20-5-2-10-28-20/h1-12H,13H2,(H,23,25).
What are the key properties of N-[3-[(4-chlorophenyl)methoxy]phenyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
N-[3-[(4-chlorophenyl)methoxy]phenyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 410.88 g/mol, XLogP of 5.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-chlorophenyl)methoxy]phenyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 71493009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).