N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-oxochromene-2-carboxamide

C19H13N3O5 — CID 3550447

IUPACN-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-oxochromene-2-carboxamide
SMILESCOc1ccc(-c2nnc(NC(=O)c3cc(=O)c4ccccc4o3)o2)cc1
InChIInChI=1S/C19H13N3O5/c1-25-12-8-6-11(7-9-12)18-21-22-19(27-18)20-17(24)16-10-14(23)13-4-2-3-5-15(13)26-16/h2-10H,1H3,(H,20,22,24)
InChIKeyRVVABUIZCJYABJ-UHFFFAOYSA-N
MW363.33 g/mol
LogP3.10
Rot. Bonds4

About N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-oxochromene-2-carboxamide

N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-oxochromene-2-carboxamide (PubChem CID 3550447) has the molecular formula C19H13N3O5 and a molecular weight of 363.33 g/mol. Its IUPAC name is N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-oxochromene-2-carboxamide
PubChem CID3550447
Molecular FormulaC19H13N3O5
Molecular Weight363.33 g/mol
Exact Mass363.09
IUPAC NameN-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-oxochromene-2-carboxamide
SMILESCOc1ccc(-c2nnc(NC(=O)c3cc(=O)c4ccccc4o3)o2)cc1
InChIInChI=1S/C19H13N3O5/c1-25-12-8-6-11(7-9-12)18-21-22-19(27-18)20-17(24)16-10-14(23)13-4-2-3-5-15(13)26-16/h2-10H,1H3,(H,20,22,24)
InChIKeyRVVABUIZCJYABJ-UHFFFAOYSA-N
XLogP3.10
TPSA107.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.33
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]urea
CID 71521216
N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-1-benzofuran-2-carboxamide
CID 43977755
N-[2-(4-methoxyphenyl)ethyl]-4-oxochromene-2-carboxamide
CID 11638378
N-[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-1-benzofuran-2-carboxamide
CID 43977757
1-amino-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]urea
CID 71521325
N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-5-nitrofuran-2-carboxamide
CID 5111728
7-methoxy-N-naphthalen-2-yl-4-oxochromene-2-carboxamide
CID 51998176
N-[3-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-4-oxochromene-2-carboxamide
CID 35337837
N-[1-(4-methoxyphenyl)propyl]-4-oxochromene-2-carboxamide
CID 78798389
ethyl N-[2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]carbamoyl]phenyl]carbamate
CID 45013153
N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-methylsulfonylbenzamide
CID 7565715
N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-methoxybenzamide
CID 43975608

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-oxochromene-2-carboxamide?
The IUPAC name of N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-oxochromene-2-carboxamide (CID 3550447) is N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-oxochromene-2-carboxamide?
The canonical SMILES for N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-oxochromene-2-carboxamide is COc1ccc(-c2nnc(NC(=O)c3cc(=O)c4ccccc4o3)o2)cc1.
What is the InChIKey of N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-oxochromene-2-carboxamide?
The InChIKey is RVVABUIZCJYABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O5/c1-25-12-8-6-11(7-9-12)18-21-22-19(27-18)20-17(24)16-10-14(23)13-4-2-3-5-15(13)26-16/h2-10H,1H3,(H,20,22,24).
What are the key properties of N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-oxochromene-2-carboxamide?
N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-oxochromene-2-carboxamide has a molecular weight of 363.33 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-oxochromene-2-carboxamide is sourced from PubChem (CID 3550447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).