N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)thiophene-2-carboxamide

C22H14N2O2S — CID 1282086

IUPACN-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)thiophene-2-carboxamide
SMILESO=C(Nc1ccc2oc(-c3ccc4ccccc4c3)nc2c1)c1cccs1
InChIInChI=1S/C22H14N2O2S/c25-21(20-6-3-11-27-20)23-17-9-10-19-18(13-17)24-22(26-19)16-8-7-14-4-1-2-5-15(14)12-16/h1-13H,(H,23,25)
InChIKeyBMAZWNMLRZHFMK-UHFFFAOYSA-N
MW370.43 g/mol
LogP5.96
Rot. Bonds3

About N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)thiophene-2-carboxamide

N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)thiophene-2-carboxamide (PubChem CID 1282086) has the molecular formula C22H14N2O2S and a molecular weight of 370.43 g/mol. Its IUPAC name is N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)thiophene-2-carboxamide
PubChem CID1282086
Molecular FormulaC22H14N2O2S
Molecular Weight370.43 g/mol
Exact Mass370.08
IUPAC NameN-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)thiophene-2-carboxamide
SMILESO=C(Nc1ccc2oc(-c3ccc4ccccc4c3)nc2c1)c1cccs1
InChIInChI=1S/C22H14N2O2S/c25-21(20-6-3-11-27-20)23-17-9-10-19-18(13-17)24-22(26-19)16-8-7-14-4-1-2-5-15(14)12-16/h1-13H,(H,23,25)
InChIKeyBMAZWNMLRZHFMK-UHFFFAOYSA-N
XLogP5.96
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.43
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)thiophene-2-carboxamide?
The IUPAC name of N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)thiophene-2-carboxamide (CID 1282086) is N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)thiophene-2-carboxamide is O=C(Nc1ccc2oc(-c3ccc4ccccc4c3)nc2c1)c1cccs1.
What is the InChIKey of N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)thiophene-2-carboxamide?
The InChIKey is BMAZWNMLRZHFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N2O2S/c25-21(20-6-3-11-27-20)23-17-9-10-19-18(13-17)24-22(26-19)16-8-7-14-4-1-2-5-15(14)12-16/h1-13H,(H,23,25).
What are the key properties of N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)thiophene-2-carboxamide?
N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)thiophene-2-carboxamide has a molecular weight of 370.43 g/mol, XLogP of 5.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)thiophene-2-carboxamide is sourced from PubChem (CID 1282086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).