5-(furan-2-yl)-N-(5-thia-3-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),2(6),3,7,11(15),12-hexaen-4-yl)-1,2-oxazole-3-carboxamide

C21H13N3O3S — CID 121082941

IUPAC5-(furan-2-yl)-N-(5-thia-3-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),2(6),3,7,11(15),12-hexaen-4-yl)-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1nc2c(cc3c4c(cccc42)CC3)s1)c1cc(-c2ccco2)on1
InChIInChI=1S/C21H13N3O3S/c25-20(14-10-16(27-24-14)15-5-2-8-26-15)23-21-22-19-13-4-1-3-11-6-7-12(18(11)13)9-17(19)28-21/h1-5,8-10H,6-7H2,(H,22,23,25)
InChIKeyVNAPRKVJBHJEAJ-UHFFFAOYSA-N
MW387.42 g/mol
LogP5.05
Rot. Bonds3

About 5-(furan-2-yl)-N-(5-thia-3-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),2(6),3,7,11(15),12-hexaen-4-yl)-1,2-oxazole-3-carboxamide

5-(furan-2-yl)-N-(5-thia-3-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),2(6),3,7,11(15),12-hexaen-4-yl)-1,2-oxazole-3-carboxamide (PubChem CID 121082941) has the molecular formula C21H13N3O3S and a molecular weight of 387.42 g/mol. Its IUPAC name is 5-(furan-2-yl)-N-(5-thia-3-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),2(6),3,7,11(15),12-hexaen-4-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(furan-2-yl)-N-(5-thia-3-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),2(6),3,7,11(15),12-hexaen-4-yl)-1,2-oxazole-3-carboxamide
PubChem CID121082941
Molecular FormulaC21H13N3O3S
Molecular Weight387.42 g/mol
Exact Mass387.07
IUPAC Name5-(furan-2-yl)-N-(5-thia-3-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),2(6),3,7,11(15),12-hexaen-4-yl)-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1nc2c(cc3c4c(cccc42)CC3)s1)c1cc(-c2ccco2)on1
InChIInChI=1S/C21H13N3O3S/c25-20(14-10-16(27-24-14)15-5-2-8-26-15)23-21-22-19-13-4-1-3-11-6-7-12(18(11)13)9-17(19)28-21/h1-5,8-10H,6-7H2,(H,22,23,25)
InChIKeyVNAPRKVJBHJEAJ-UHFFFAOYSA-N
XLogP5.05
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.42
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(furan-2-yl)-N-(5-thia-3-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),2(6),3,7,11(15),12-hexaen-4-yl)-1,2-oxazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-thia-3-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),2(6),3,7,11(15),12-hexaen-4-yl)furan-2-carboxamide
CID 3641742
3,5-dimethoxy-N-(5-thia-3-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),2(6),3,7,11(15),12-hexaen-4-yl)benzamide
CID 4098299
1-(3,4-dichlorophenyl)-3-(5-thia-3-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),2(6),3,7,11(15),12-hexaen-4-yl)urea
CID 121080546
2-(5-chlorothiophen-2-yl)-N-(5-thia-3-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),2(6),3,7,11(15),12-hexaen-4-yl)acetamide
CID 41340489
N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 47138249
2-phenyl-N-(5-thia-3-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),2(6),3,7,11(15),12-hexaen-4-yl)quinoline-4-carboxamide
CID 4524436
1-[(4-fluorophenyl)methyl]-3-(5-thia-3-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),2(6),3,7,11(15),12-hexaen-4-yl)urea
CID 121082272
2-(benzenesulfonamido)-N-(5-thia-3-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),2(6),3,7,11(15),12-hexaen-4-yl)benzamide
CID 121040698
4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(5-thia-3-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),2(6),3,7,11(15),12-hexaen-4-yl)benzamide
CID 27602410
4-[bis(2-cyanoethyl)sulfamoyl]-N-(5-thia-3-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),2(6),3,7,11(15),12-hexaen-4-yl)benzamide
CID 4294054
4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(5-thia-3-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),2(6),3,7,11(15),12-hexaen-4-yl)benzamide
CID 4524435
4-(4-chlorophenyl)sulfonyl-N-(5-thia-3-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),2(6),3,7,11(15),12-hexaen-4-yl)butanamide
CID 41319585

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-N-(5-thia-3-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),2(6),3,7,11(15),12-hexaen-4-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(furan-2-yl)-N-(5-thia-3-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),2(6),3,7,11(15),12-hexaen-4-yl)-1,2-oxazole-3-carboxamide (CID 121082941) is 5-(furan-2-yl)-N-(5-thia-3-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),2(6),3,7,11(15),12-hexaen-4-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(furan-2-yl)-N-(5-thia-3-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),2(6),3,7,11(15),12-hexaen-4-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(furan-2-yl)-N-(5-thia-3-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),2(6),3,7,11(15),12-hexaen-4-yl)-1,2-oxazole-3-carboxamide is O=C(Nc1nc2c(cc3c4c(cccc42)CC3)s1)c1cc(-c2ccco2)on1.
What is the InChIKey of 5-(furan-2-yl)-N-(5-thia-3-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),2(6),3,7,11(15),12-hexaen-4-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is VNAPRKVJBHJEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13N3O3S/c25-20(14-10-16(27-24-14)15-5-2-8-26-15)23-21-22-19-13-4-1-3-11-6-7-12(18(11)13)9-17(19)28-21/h1-5,8-10H,6-7H2,(H,22,23,25).
What are the key properties of 5-(furan-2-yl)-N-(5-thia-3-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),2(6),3,7,11(15),12-hexaen-4-yl)-1,2-oxazole-3-carboxamide?
5-(furan-2-yl)-N-(5-thia-3-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),2(6),3,7,11(15),12-hexaen-4-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 387.42 g/mol, XLogP of 5.05, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-N-(5-thia-3-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),2(6),3,7,11(15),12-hexaen-4-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 121082941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).