2-benzyl-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1,3-benzoxazole-5-carboxamide

C21H20N4O2 — CID 24791476

IUPAC2-benzyl-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1,3-benzoxazole-5-carboxamide
SMILESCc1cnc(CN(C)C(=O)c2ccc3oc(Cc4ccccc4)nc3c2)[nH]1
InChIInChI=1S/C21H20N4O2/c1-14-12-22-19(23-14)13-25(2)21(26)16-8-9-18-17(11-16)24-20(27-18)10-15-6-4-3-5-7-15/h3-9,11-12H,10,13H2,1-2H3,(H,22,23)
InChIKeyMSYANRATPVLOLT-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.72
Rot. Bonds5

About 2-benzyl-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1,3-benzoxazole-5-carboxamide

2-benzyl-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1,3-benzoxazole-5-carboxamide (PubChem CID 24791476) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 2-benzyl-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1,3-benzoxazole-5-carboxamide.

Molecular Properties

Compound Name2-benzyl-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1,3-benzoxazole-5-carboxamide
PubChem CID24791476
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name2-benzyl-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1,3-benzoxazole-5-carboxamide
SMILESCc1cnc(CN(C)C(=O)c2ccc3oc(Cc4ccccc4)nc3c2)[nH]1
InChIInChI=1S/C21H20N4O2/c1-14-12-22-19(23-14)13-25(2)21(26)16-8-9-18-17(11-16)24-20(27-18)10-15-6-4-3-5-7-15/h3-9,11-12H,10,13H2,1-2H3,(H,22,23)
InChIKeyMSYANRATPVLOLT-UHFFFAOYSA-N
XLogP3.72
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Amg 579
CID 59351313
1h-Benzimidazol-2-Yl(4-{[3-(Morpholin-4-Yl)pyrazin-2-Yl]oxy}phenyl)methanone
CID 46207938
(2S)-1-[(2R)-2-(dimethylamino)-2-phenyl-acetyl]-N-[4-[5-[2-[(2S)-1-[(2R)-2-(dimethylamino)-2-phenyl-acetyl]pyrrolidin-2-yl]-1H-benzimidazol-5-yl]oxazol-2-yl]phenyl]pyrrolidine-2-carboxamide
CID 46893268
methyl N-[(1S)-1-[(2S,4S)-2-[4-[4-[4-[2-[(2S,4S)-1-[(2S)-2-(methoxycarbonylamino)-3-methyl-butanoyl]-4-methyl-pyrrolidin-2-yl]-1,3-benzoxazol-6-yl]phenyl]phenyl]-1H-imidazol-2-yl]-4-methyl-pyrrolidine-1-carbonyl]-2-methyl-propyl]carbamate
CID 53482405
methyl N-[(1S)-1-[(2S,4S)-2-[4-[4-[4-[2-[(2S,4S)-1-[(2S)-2-(methoxycarbonylamino)-3-methyl-butanoyl]-4-methyl-pyrrolidin-2-yl]-1,3-benzoxazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-4-methyl-pyrrolidine-1-carbonyl]-2-methyl-propyl]carbamate
CID 53482508
(2S)-1-[(2R)-2-(dimethylamino)-2-phenyl-acetyl]-N-[3-[5-[2-[(2S)-1-[(2R)-2-(dimethylamino)-2-phenyl-acetyl]pyrrolidin-2-yl]-1H-benzimidazol-5-yl]oxazol-2-yl]phenyl]pyrrolidine-2-carboxamide
CID 58384795
4-(2-(4-(1H-benzo[d]imidazole-2-carbonyl)phenoxy)pyridin-3-yl)-1-methylpyrrolidin-2-one
CID 59326873
1-[3-[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-3-pyridinyl]piperidin-1-yl]ethanone
CID 59326903
1-[4-[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-3-pyridinyl]piperidin-1-yl]ethanone
CID 59327006
(1H-benzo[d]imidazol-2-yl)(4-(3-(tetrahydro-2H-pyran-4-yl)pyrazin-2-yloxy)phenyl)methanone
CID 59351198
7-chloro-2-ethyl-N-[[2-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-5-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 68234666
N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-propan-2-yl-1,3-benzoxazole-5-carboxamide
CID 24791737

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1,3-benzoxazole-5-carboxamide?
The IUPAC name of 2-benzyl-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1,3-benzoxazole-5-carboxamide (CID 24791476) is 2-benzyl-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1,3-benzoxazole-5-carboxamide.
What is the SMILES notation for 2-benzyl-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1,3-benzoxazole-5-carboxamide?
The canonical SMILES for 2-benzyl-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1,3-benzoxazole-5-carboxamide is Cc1cnc(CN(C)C(=O)c2ccc3oc(Cc4ccccc4)nc3c2)[nH]1.
What is the InChIKey of 2-benzyl-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1,3-benzoxazole-5-carboxamide?
The InChIKey is MSYANRATPVLOLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-14-12-22-19(23-14)13-25(2)21(26)16-8-9-18-17(11-16)24-20(27-18)10-15-6-4-3-5-7-15/h3-9,11-12H,10,13H2,1-2H3,(H,22,23).
What are the key properties of 2-benzyl-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1,3-benzoxazole-5-carboxamide?
2-benzyl-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1,3-benzoxazole-5-carboxamide has a molecular weight of 360.42 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1,3-benzoxazole-5-carboxamide is sourced from PubChem (CID 24791476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).