5-(benzimidazol-1-ylmethyl)-N-methyl-N-[(1R)-1-pyrimidin-4-ylethyl]-1,2-oxazole-3-carboxamide

C19H18N6O2 — CID 95194034

IUPAC5-(benzimidazol-1-ylmethyl)-N-methyl-N-[(1R)-1-pyrimidin-4-ylethyl]-1,2-oxazole-3-carboxamide
SMILESC[C@H](c1ccncn1)N(C)C(=O)c1cc(Cn2cnc3ccccc32)on1
InChIInChI=1S/C19H18N6O2/c1-13(15-7-8-20-11-21-15)24(2)19(26)17-9-14(27-23-17)10-25-12-22-16-5-3-4-6-18(16)25/h3-9,11-13H,10H2,1-2H3/t13-/m1/s1
InChIKeyKSLSEAQFOPVAQA-CYBMUJFWSA-N
MW362.39 g/mol
LogP2.70
Rot. Bonds5

About 5-(benzimidazol-1-ylmethyl)-N-methyl-N-[(1R)-1-pyrimidin-4-ylethyl]-1,2-oxazole-3-carboxamide

5-(benzimidazol-1-ylmethyl)-N-methyl-N-[(1R)-1-pyrimidin-4-ylethyl]-1,2-oxazole-3-carboxamide (PubChem CID 95194034) has the molecular formula C19H18N6O2 and a molecular weight of 362.39 g/mol. Its IUPAC name is 5-(benzimidazol-1-ylmethyl)-N-methyl-N-[(1R)-1-pyrimidin-4-ylethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(benzimidazol-1-ylmethyl)-N-methyl-N-[(1R)-1-pyrimidin-4-ylethyl]-1,2-oxazole-3-carboxamide
PubChem CID95194034
Molecular FormulaC19H18N6O2
Molecular Weight362.39 g/mol
Exact Mass362.15
IUPAC Name5-(benzimidazol-1-ylmethyl)-N-methyl-N-[(1R)-1-pyrimidin-4-ylethyl]-1,2-oxazole-3-carboxamide
SMILESC[C@H](c1ccncn1)N(C)C(=O)c1cc(Cn2cnc3ccccc32)on1
InChIInChI=1S/C19H18N6O2/c1-13(15-7-8-20-11-21-15)24(2)19(26)17-9-14(27-23-17)10-25-12-22-16-5-3-4-6-18(16)25/h3-9,11-13H,10H2,1-2H3/t13-/m1/s1
InChIKeyKSLSEAQFOPVAQA-CYBMUJFWSA-N
XLogP2.70
TPSA89.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[(2,6-difluorophenoxy)methyl]-N-methyl-N-(1-pyrimidin-4-ylethyl)-1,2-oxazole-3-carboxamide
CID 45205519
5-(benzimidazol-1-ylmethyl)-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide
CID 42532895
5-(benzimidazol-1-ylmethyl)-N-methyl-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 95196702
2-(benzimidazol-1-yl)-N-methyl-N-[(1S)-1-(1,2-oxazol-3-yl)ethyl]acetamide
CID 99952062
N-methyl-1-[(E)-3-phenylprop-2-enyl]-N-[(1S)-1-pyrimidin-4-ylethyl]triazole-4-carboxamide
CID 95708163
5-[(3-ethoxyphenoxy)methyl]-N-methyl-N-(1-pyridin-2-ylethyl)-1,2-oxazole-3-carboxamide
CID 71737702
N-methyl-3-phenyl-N-[(1R)-1-pyrimidin-4-ylethyl]-1,2-oxazole-4-carboxamide
CID 126446006
5-[[(2-fluorobenzoyl)amino]methyl]-N-methyl-N-(1-pyridin-2-ylethyl)-1,2-oxazole-3-carboxamide
CID 71737753
3-[[3-[(dimethylamino)methyl]phenyl]methyl]-1-methyl-1-(1-pyrimidin-4-ylethyl)urea
CID 122572098
1-(2-methoxyphenyl)-N-methyl-N-(1-pyrimidin-4-ylethyl)pyrazole-4-carboxamide
CID 70721608
5-[[benzyl(methyl)amino]methyl]-N-methyl-N-[(2R)-3-methylbutan-2-yl]-1,2-oxazole-3-carboxamide
CID 95227296
N-methyl-5-[(2-methylsulfanylphenoxy)methyl]-N-(pyrimidin-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 24792134

Frequently Asked Questions

What is the IUPAC name of 5-(benzimidazol-1-ylmethyl)-N-methyl-N-[(1R)-1-pyrimidin-4-ylethyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(benzimidazol-1-ylmethyl)-N-methyl-N-[(1R)-1-pyrimidin-4-ylethyl]-1,2-oxazole-3-carboxamide (CID 95194034) is 5-(benzimidazol-1-ylmethyl)-N-methyl-N-[(1R)-1-pyrimidin-4-ylethyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(benzimidazol-1-ylmethyl)-N-methyl-N-[(1R)-1-pyrimidin-4-ylethyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(benzimidazol-1-ylmethyl)-N-methyl-N-[(1R)-1-pyrimidin-4-ylethyl]-1,2-oxazole-3-carboxamide is C[C@H](c1ccncn1)N(C)C(=O)c1cc(Cn2cnc3ccccc32)on1.
What is the InChIKey of 5-(benzimidazol-1-ylmethyl)-N-methyl-N-[(1R)-1-pyrimidin-4-ylethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is KSLSEAQFOPVAQA-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H18N6O2/c1-13(15-7-8-20-11-21-15)24(2)19(26)17-9-14(27-23-17)10-25-12-22-16-5-3-4-6-18(16)25/h3-9,11-13H,10H2,1-2H3/t13-/m1/s1.
What are the key properties of 5-(benzimidazol-1-ylmethyl)-N-methyl-N-[(1R)-1-pyrimidin-4-ylethyl]-1,2-oxazole-3-carboxamide?
5-(benzimidazol-1-ylmethyl)-N-methyl-N-[(1R)-1-pyrimidin-4-ylethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 362.39 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzimidazol-1-ylmethyl)-N-methyl-N-[(1R)-1-pyrimidin-4-ylethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 95194034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).