N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-(tetrazol-1-yl)thiophene-2-carboxamide

C17H16N6O2S — CID 55966312

IUPACN-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-(tetrazol-1-yl)thiophene-2-carboxamide
SMILESCC(C)(C)c1nc2cc(NC(=O)c3sccc3-n3cnnn3)ccc2o1
InChIInChI=1S/C17H16N6O2S/c1-17(2,3)16-20-11-8-10(4-5-13(11)25-16)19-15(24)14-12(6-7-26-14)23-9-18-21-22-23/h4-9H,1-3H3,(H,19,24)
InChIKeyMFXBSXUDIABKRV-UHFFFAOYSA-N
MW368.42 g/mol
LogP3.41
Rot. Bonds3

About N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-(tetrazol-1-yl)thiophene-2-carboxamide

N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-(tetrazol-1-yl)thiophene-2-carboxamide (PubChem CID 55966312) has the molecular formula C17H16N6O2S and a molecular weight of 368.42 g/mol. Its IUPAC name is N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-(tetrazol-1-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-(tetrazol-1-yl)thiophene-2-carboxamide
PubChem CID55966312
Molecular FormulaC17H16N6O2S
Molecular Weight368.42 g/mol
Exact Mass368.11
IUPAC NameN-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-(tetrazol-1-yl)thiophene-2-carboxamide
SMILESCC(C)(C)c1nc2cc(NC(=O)c3sccc3-n3cnnn3)ccc2o1
InChIInChI=1S/C17H16N6O2S/c1-17(2,3)16-20-11-8-10(4-5-13(11)25-16)19-15(24)14-12(6-7-26-14)23-9-18-21-22-23/h4-9H,1-3H3,(H,19,24)
InChIKeyMFXBSXUDIABKRV-UHFFFAOYSA-N
XLogP3.41
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 55983520
N-[4-(1,3-oxazol-5-yl)phenyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 87008522
N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 55805183
N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 60553003
N-(2-tert-butyl-1,3-benzoxazol-5-yl)pyridine-2-carboxamide
CID 46416181
N-(5-methyl-1H-1,2,4-triazol-3-yl)-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 78928244
N-(2-propan-2-yl-1,3-benzoxazol-5-yl)-4-(tetrazol-1-yl)benzamide
CID 47026774
N,N-dimethyl-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 47323771
methyl 2-[[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]acetate
CID 43623271
N-(2-chloro-4-methoxyphenyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 86858047
5-[[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]thiophene-2-carboxylic acid
CID 43474473
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 103839754

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-(tetrazol-1-yl)thiophene-2-carboxamide?
The IUPAC name of N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-(tetrazol-1-yl)thiophene-2-carboxamide (CID 55966312) is N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-(tetrazol-1-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-(tetrazol-1-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-(tetrazol-1-yl)thiophene-2-carboxamide is CC(C)(C)c1nc2cc(NC(=O)c3sccc3-n3cnnn3)ccc2o1.
What is the InChIKey of N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-(tetrazol-1-yl)thiophene-2-carboxamide?
The InChIKey is MFXBSXUDIABKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O2S/c1-17(2,3)16-20-11-8-10(4-5-13(11)25-16)19-15(24)14-12(6-7-26-14)23-9-18-21-22-23/h4-9H,1-3H3,(H,19,24).
What are the key properties of N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-(tetrazol-1-yl)thiophene-2-carboxamide?
N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-(tetrazol-1-yl)thiophene-2-carboxamide has a molecular weight of 368.42 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-(tetrazol-1-yl)thiophene-2-carboxamide is sourced from PubChem (CID 55966312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).