N-[(1R)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3-cyclopropyl-1,2-oxazole-5-carboxamide

C18H20N4O2S — CID 125141542

IUPACN-[(1R)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3-cyclopropyl-1,2-oxazole-5-carboxamide
SMILESCSCC[C@@H](NC(=O)c1cc(C2CC2)no1)c1nc2ccccc2[nH]1
InChIInChI=1S/C18H20N4O2S/c1-25-9-8-14(17-19-12-4-2-3-5-13(12)20-17)21-18(23)16-10-15(22-24-16)11-6-7-11/h2-5,10-11,14H,6-9H2,1H3,(H,19,20)(H,21,23)/t14-/m1/s1
InChIKeyUJZWPQAOIYFBAJ-CQSZACIVSA-N
MW356.45 g/mol
LogP3.65
Rot. Bonds7

About N-[(1R)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3-cyclopropyl-1,2-oxazole-5-carboxamide

N-[(1R)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3-cyclopropyl-1,2-oxazole-5-carboxamide (PubChem CID 125141542) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is N-[(1R)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3-cyclopropyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3-cyclopropyl-1,2-oxazole-5-carboxamide
PubChem CID125141542
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC NameN-[(1R)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3-cyclopropyl-1,2-oxazole-5-carboxamide
SMILESCSCC[C@@H](NC(=O)c1cc(C2CC2)no1)c1nc2ccccc2[nH]1
InChIInChI=1S/C18H20N4O2S/c1-25-9-8-14(17-19-12-4-2-3-5-13(12)20-17)21-18(23)16-10-15(22-24-16)11-6-7-11/h2-5,10-11,14H,6-9H2,1H3,(H,19,20)(H,21,23)/t14-/m1/s1
InChIKeyUJZWPQAOIYFBAJ-CQSZACIVSA-N
XLogP3.65
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]piperidine-4-carboxamide;dihydrochloride
CID 119855269
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CID 2531246
N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-1,3-benzodioxole-5-carboxamide
CID 17406192
N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-4-ethylbenzamide
CID 4807139
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-phenylacetamide
CID 2114874
N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-4-chlorobenzamide
CID 3762861
2-amino-N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]acetamide
CID 119855298
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3-oxo-2,4-dihydro-1H-pyridazine-6-carboxamide
CID 2549999
3-amino-N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119855277
N-[(1R)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-5-fluoropyridine-3-carboxamide
CID 99624790
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 51425636
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 97137653

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3-cyclopropyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[(1R)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3-cyclopropyl-1,2-oxazole-5-carboxamide (CID 125141542) is N-[(1R)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3-cyclopropyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[(1R)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3-cyclopropyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[(1R)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3-cyclopropyl-1,2-oxazole-5-carboxamide is CSCC[C@@H](NC(=O)c1cc(C2CC2)no1)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[(1R)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3-cyclopropyl-1,2-oxazole-5-carboxamide?
The InChIKey is UJZWPQAOIYFBAJ-CQSZACIVSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-25-9-8-14(17-19-12-4-2-3-5-13(12)20-17)21-18(23)16-10-15(22-24-16)11-6-7-11/h2-5,10-11,14H,6-9H2,1H3,(H,19,20)(H,21,23)/t14-/m1/s1.
What are the key properties of N-[(1R)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3-cyclopropyl-1,2-oxazole-5-carboxamide?
N-[(1R)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3-cyclopropyl-1,2-oxazole-5-carboxamide has a molecular weight of 356.45 g/mol, XLogP of 3.65, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3-cyclopropyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 125141542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).