N-(1H-benzimidazol-2-ylmethyl)-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide

C17H13N5O3S — CID 52907963

IUPACN-(1H-benzimidazol-2-ylmethyl)-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide
SMILESO=C(NCc1nc2ccccc2[nH]1)c1coc(NC(=O)c2cccs2)n1
InChIInChI=1S/C17H13N5O3S/c23-15(18-8-14-19-10-4-1-2-5-11(10)20-14)12-9-25-17(21-12)22-16(24)13-6-3-7-26-13/h1-7,9H,8H2,(H,18,23)(H,19,20)(H,21,22,24)
InChIKeyWOTSEKWJASJDAQ-UHFFFAOYSA-N
MW367.39 g/mol
LogP2.79
Rot. Bonds5

About N-(1H-benzimidazol-2-ylmethyl)-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide

N-(1H-benzimidazol-2-ylmethyl)-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide (PubChem CID 52907963) has the molecular formula C17H13N5O3S and a molecular weight of 367.39 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide
PubChem CID52907963
Molecular FormulaC17H13N5O3S
Molecular Weight367.39 g/mol
Exact Mass367.07
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide
SMILESO=C(NCc1nc2ccccc2[nH]1)c1coc(NC(=O)c2cccs2)n1
InChIInChI=1S/C17H13N5O3S/c23-15(18-8-14-19-10-4-1-2-5-11(10)20-14)12-9-25-17(21-12)22-16(24)13-6-3-7-26-13/h1-7,9H,8H2,(H,18,23)(H,19,20)(H,21,22,24)
InChIKeyWOTSEKWJASJDAQ-UHFFFAOYSA-N
XLogP2.79
TPSA112.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.39
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide (CID 52907963) is N-(1H-benzimidazol-2-ylmethyl)-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide is O=C(NCc1nc2ccccc2[nH]1)c1coc(NC(=O)c2cccs2)n1.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide?
The InChIKey is WOTSEKWJASJDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O3S/c23-15(18-8-14-19-10-4-1-2-5-11(10)20-14)12-9-25-17(21-12)22-16(24)13-6-3-7-26-13/h1-7,9H,8H2,(H,18,23)(H,19,20)(H,21,22,24).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide?
N-(1H-benzimidazol-2-ylmethyl)-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide has a molecular weight of 367.39 g/mol, XLogP of 2.79, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 52907963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).