N-[4-chloro-2-(furan-2-carbonylamino)phenyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide

C22H16ClN3O4 — CID 55933881

IUPACN-[4-chloro-2-(furan-2-carbonylamino)phenyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3ccc(Cl)cc3NC(=O)c3ccco3)on2)cc1
InChIInChI=1S/C22H16ClN3O4/c1-13-4-6-14(7-5-13)17-12-20(30-26-17)22(28)24-16-9-8-15(23)11-18(16)25-21(27)19-3-2-10-29-19/h2-12H,1H3,(H,24,28)(H,25,27)
InChIKeyGMSWXQMYYMGDHU-UHFFFAOYSA-N
MW421.84 g/mol
LogP5.40
Rot. Bonds5

About N-[4-chloro-2-(furan-2-carbonylamino)phenyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide

N-[4-chloro-2-(furan-2-carbonylamino)phenyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide (PubChem CID 55933881) has the molecular formula C22H16ClN3O4 and a molecular weight of 421.84 g/mol. Its IUPAC name is N-[4-chloro-2-(furan-2-carbonylamino)phenyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-2-(furan-2-carbonylamino)phenyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
PubChem CID55933881
Molecular FormulaC22H16ClN3O4
Molecular Weight421.84 g/mol
Exact Mass421.08
IUPAC NameN-[4-chloro-2-(furan-2-carbonylamino)phenyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3ccc(Cl)cc3NC(=O)c3ccco3)on2)cc1
InChIInChI=1S/C22H16ClN3O4/c1-13-4-6-14(7-5-13)17-12-20(30-26-17)22(28)24-16-9-8-15(23)11-18(16)25-21(27)19-3-2-10-29-19/h2-12H,1H3,(H,24,28)(H,25,27)
InChIKeyGMSWXQMYYMGDHU-UHFFFAOYSA-N
XLogP5.40
TPSA97.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.84
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-dichlorophenyl)furan-2-carboxamide
CID 3105425
N-[5-chloro-2-[[(2S)-2-methylsulfanylpropanoyl]amino]phenyl]furan-2-carboxamide
CID 94660299
N'-(5-chloro-2-hydroxybenzoyl)-3-(4-methylphenyl)-1,2-oxazole-5-carbohydrazide
CID 55683983
N-[5-chloro-2-[(3-fluorobenzoyl)amino]phenyl]furan-2-carboxamide
CID 55645358
N-[4,6-bis(4-chlorophenyl)pyrimidin-2-yl]furan-2-carboxamide
CID 46267588
N-[5-chloro-2-[[2-(3-chloroanilino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide
CID 60537038
N-[5-chloro-2-[[3-(dimethylamino)benzoyl]amino]phenyl]furan-2-carboxamide
CID 55811826
5-chloro-2-(furan-2-carbonylamino)benzoic acid
CID 16777457
N-[5-chloro-2-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]phenyl]furan-2-carboxamide
CID 55729288
N-[2-[(2-bromophenyl)sulfonylamino]-5-chlorophenyl]furan-2-carboxamide
CID 39344896
methyl 4-chloro-2-(furan-2-carbonylamino)benzoate
CID 60630180
N-[5-chloro-2-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]furan-2-carboxamide
CID 55811858

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(furan-2-carbonylamino)phenyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[4-chloro-2-(furan-2-carbonylamino)phenyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide (CID 55933881) is N-[4-chloro-2-(furan-2-carbonylamino)phenyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[4-chloro-2-(furan-2-carbonylamino)phenyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[4-chloro-2-(furan-2-carbonylamino)phenyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide is Cc1ccc(-c2cc(C(=O)Nc3ccc(Cl)cc3NC(=O)c3ccco3)on2)cc1.
What is the InChIKey of N-[4-chloro-2-(furan-2-carbonylamino)phenyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide?
The InChIKey is GMSWXQMYYMGDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN3O4/c1-13-4-6-14(7-5-13)17-12-20(30-26-17)22(28)24-16-9-8-15(23)11-18(16)25-21(27)19-3-2-10-29-19/h2-12H,1H3,(H,24,28)(H,25,27).
What are the key properties of N-[4-chloro-2-(furan-2-carbonylamino)phenyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide?
N-[4-chloro-2-(furan-2-carbonylamino)phenyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide has a molecular weight of 421.84 g/mol, XLogP of 5.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(furan-2-carbonylamino)phenyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 55933881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).