N-[4-(1,3-oxazol-5-yl)phenyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide

C15H10N6O2S — CID 87008522

IUPACN-[4-(1,3-oxazol-5-yl)phenyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide
SMILESO=C(Nc1ccc(-c2cnco2)cc1)c1sccc1-n1cnnn1
InChIInChI=1S/C15H10N6O2S/c22-15(14-12(5-6-24-14)21-8-17-19-20-21)18-11-3-1-10(2-4-11)13-7-16-9-23-13/h1-9H,(H,18,22)
InChIKeyOTSNBSIVKRIZAI-UHFFFAOYSA-N
MW338.35 g/mol
LogP2.63
Rot. Bonds4

About N-[4-(1,3-oxazol-5-yl)phenyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide

N-[4-(1,3-oxazol-5-yl)phenyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide (PubChem CID 87008522) has the molecular formula C15H10N6O2S and a molecular weight of 338.35 g/mol. Its IUPAC name is N-[4-(1,3-oxazol-5-yl)phenyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(1,3-oxazol-5-yl)phenyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide
PubChem CID87008522
Molecular FormulaC15H10N6O2S
Molecular Weight338.35 g/mol
Exact Mass338.06
IUPAC NameN-[4-(1,3-oxazol-5-yl)phenyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide
SMILESO=C(Nc1ccc(-c2cnco2)cc1)c1sccc1-n1cnnn1
InChIInChI=1S/C15H10N6O2S/c22-15(14-12(5-6-24-14)21-8-17-19-20-21)18-11-3-1-10(2-4-11)13-7-16-9-23-13/h1-9H,(H,18,22)
InChIKeyOTSNBSIVKRIZAI-UHFFFAOYSA-N
XLogP2.63
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.35
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-oxazol-5-yl)phenyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide?
The IUPAC name of N-[4-(1,3-oxazol-5-yl)phenyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide (CID 87008522) is N-[4-(1,3-oxazol-5-yl)phenyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-[4-(1,3-oxazol-5-yl)phenyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide?
The canonical SMILES for N-[4-(1,3-oxazol-5-yl)phenyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide is O=C(Nc1ccc(-c2cnco2)cc1)c1sccc1-n1cnnn1.
What is the InChIKey of N-[4-(1,3-oxazol-5-yl)phenyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide?
The InChIKey is OTSNBSIVKRIZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N6O2S/c22-15(14-12(5-6-24-14)21-8-17-19-20-21)18-11-3-1-10(2-4-11)13-7-16-9-23-13/h1-9H,(H,18,22).
What are the key properties of N-[4-(1,3-oxazol-5-yl)phenyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide?
N-[4-(1,3-oxazol-5-yl)phenyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide has a molecular weight of 338.35 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-oxazol-5-yl)phenyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide is sourced from PubChem (CID 87008522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).