N-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]-8-methyl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide

C21H14FN3O4 — CID 46273761

IUPACN-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]-8-methyl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide
SMILESCc1ccc2c(c1)-c1onc(C(=O)Nc3cc(-c4cccc(F)c4)no3)c1CO2
InChIInChI=1S/C21H14FN3O4/c1-11-5-6-17-14(7-11)20-15(10-27-17)19(25-29-20)21(26)23-18-9-16(24-28-18)12-3-2-4-13(22)8-12/h2-9H,10H2,1H3,(H,23,26)
InChIKeySHYPLIFNPRRECN-UHFFFAOYSA-N
MW391.36 g/mol
LogP4.59
Rot. Bonds3

About N-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]-8-methyl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide

N-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]-8-methyl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide (PubChem CID 46273761) has the molecular formula C21H14FN3O4 and a molecular weight of 391.36 g/mol. Its IUPAC name is N-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]-8-methyl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]-8-methyl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide
PubChem CID46273761
Molecular FormulaC21H14FN3O4
Molecular Weight391.36 g/mol
Exact Mass391.10
IUPAC NameN-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]-8-methyl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide
SMILESCc1ccc2c(c1)-c1onc(C(=O)Nc3cc(-c4cccc(F)c4)no3)c1CO2
InChIInChI=1S/C21H14FN3O4/c1-11-5-6-17-14(7-11)20-15(10-27-17)19(25-29-20)21(26)23-18-9-16(24-28-18)12-3-2-4-13(22)8-12/h2-9H,10H2,1H3,(H,23,26)
InChIKeySHYPLIFNPRRECN-UHFFFAOYSA-N
XLogP4.59
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.36
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]-8-methyl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide?
The IUPAC name of N-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]-8-methyl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide (CID 46273761) is N-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]-8-methyl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide.
What is the SMILES notation for N-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]-8-methyl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide?
The canonical SMILES for N-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]-8-methyl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide is Cc1ccc2c(c1)-c1onc(C(=O)Nc3cc(-c4cccc(F)c4)no3)c1CO2.
What is the InChIKey of N-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]-8-methyl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide?
The InChIKey is SHYPLIFNPRRECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14FN3O4/c1-11-5-6-17-14(7-11)20-15(10-27-17)19(25-29-20)21(26)23-18-9-16(24-28-18)12-3-2-4-13(22)8-12/h2-9H,10H2,1H3,(H,23,26).
What are the key properties of N-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]-8-methyl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide?
N-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]-8-methyl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide has a molecular weight of 391.36 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]-8-methyl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide is sourced from PubChem (CID 46273761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).