N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]naphthalene-1-carboxamide

C16H10N4O3 — CID 16861328

IUPACN-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]naphthalene-1-carboxamide
SMILESO=C(Nc1nnc(-c2ccno2)o1)c1cccc2ccccc12
InChIInChI=1S/C16H10N4O3/c21-14(12-7-3-5-10-4-1-2-6-11(10)12)18-16-20-19-15(22-16)13-8-9-17-23-13/h1-9H,(H,18,20,21)
InChIKeyJHTJMSAHYVXLAM-UHFFFAOYSA-N
MW306.28 g/mol
LogP3.13
Rot. Bonds3

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

N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]naphthalene-1-carboxamide (PubChem CID 16861328) has the molecular formula C16H10N4O3 and a molecular weight of 306.28 g/mol. Its IUPAC name is N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]naphthalene-1-carboxamide
PubChem CID16861328
Molecular FormulaC16H10N4O3
Molecular Weight306.28 g/mol
Exact Mass306.08
IUPAC NameN-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]naphthalene-1-carboxamide
SMILESO=C(Nc1nnc(-c2ccno2)o1)c1cccc2ccccc12
InChIInChI=1S/C16H10N4O3/c21-14(12-7-3-5-10-4-1-2-6-11(10)12)18-16-20-19-15(22-16)13-8-9-17-23-13/h1-9H,(H,18,20,21)
InChIKeyJHTJMSAHYVXLAM-UHFFFAOYSA-N
XLogP3.13
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.28
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]naphthalene-1-carboxamide
CID 43976193
4-benzoyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 42477453
N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]naphthalene-1-carboxamide
CID 43978016
3-methylsulfonyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16861367
4-ethylsulfonyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16861371
2-(1,3-dioxoisoindol-2-yl)-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]acetamide
CID 16861308
N-[5-(3-propan-2-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]naphthalene-1-carboxamide
CID 41227527
2,5-dimethyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]pyrazole-3-carboxamide
CID 16861426
4-[methyl(phenyl)sulfamoyl]-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16861329
N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]-1,3-benzodioxole-5-carboxamide
CID 42477526
N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-ethylsulfanylbenzamide
CID 40957771
4-(dimethylsulfamoyl)-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16861297

Frequently Asked Questions

What is the IUPAC name of N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]naphthalene-1-carboxamide?
The IUPAC name of N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]naphthalene-1-carboxamide (CID 16861328) is N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]naphthalene-1-carboxamide?
The canonical SMILES for N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]naphthalene-1-carboxamide is O=C(Nc1nnc(-c2ccno2)o1)c1cccc2ccccc12.
What is the InChIKey of N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]naphthalene-1-carboxamide?
The InChIKey is JHTJMSAHYVXLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N4O3/c21-14(12-7-3-5-10-4-1-2-6-11(10)12)18-16-20-19-15(22-16)13-8-9-17-23-13/h1-9H,(H,18,20,21).
What are the key properties of N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]naphthalene-1-carboxamide?
N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]naphthalene-1-carboxamide has a molecular weight of 306.28 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]naphthalene-1-carboxamide is sourced from PubChem (CID 16861328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).