methyl 2-methyl-5-(1-methylbenzimidazol-2-yl)-4,5-dihydro-1,3-oxazole-4-carboxylate

C14H15N3O3 — CID 139762789

IUPACmethyl 2-methyl-5-(1-methylbenzimidazol-2-yl)-4,5-dihydro-1,3-oxazole-4-carboxylate
SMILESCOC(=O)C1N=C(C)OC1c1nc2ccccc2n1C
InChIInChI=1S/C14H15N3O3/c1-8-15-11(14(18)19-3)12(20-8)13-16-9-6-4-5-7-10(9)17(13)2/h4-7,11-12H,1-3H3
InChIKeyNOOVYDOIGAGULU-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.60
Rot. Bonds2

About methyl 2-methyl-5-(1-methylbenzimidazol-2-yl)-4,5-dihydro-1,3-oxazole-4-carboxylate

methyl 2-methyl-5-(1-methylbenzimidazol-2-yl)-4,5-dihydro-1,3-oxazole-4-carboxylate (PubChem CID 139762789) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is methyl 2-methyl-5-(1-methylbenzimidazol-2-yl)-4,5-dihydro-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-5-(1-methylbenzimidazol-2-yl)-4,5-dihydro-1,3-oxazole-4-carboxylate
PubChem CID139762789
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Namemethyl 2-methyl-5-(1-methylbenzimidazol-2-yl)-4,5-dihydro-1,3-oxazole-4-carboxylate
SMILESCOC(=O)C1N=C(C)OC1c1nc2ccccc2n1C
InChIInChI=1S/C14H15N3O3/c1-8-15-11(14(18)19-3)12(20-8)13-16-9-6-4-5-7-10(9)17(13)2/h4-7,11-12H,1-3H3
InChIKeyNOOVYDOIGAGULU-UHFFFAOYSA-N
XLogP1.60
TPSA65.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-methyl-5-(1-methylindol-2-yl)-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 139762872
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CID 169180367
2-(1-methylbenzimidazol-2-yl)cyclopropane-1-carboxylic acid
CID 60792986
2-(2-methoxyphenyl)-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]acetohydrazide
CID 18158832
methyl (4S,5R)-5-(5-methylthiophen-2-yl)-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 139762865
methyl 2-[bis[(1-methylbenzimidazol-2-yl)methyl]amino]acetate
CID 86237797
5-(2-methoxyphenyl)-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylic acid
CID 115059922
2-(cyclopropylmethylamino)-N-[4-(1-methylbenzimidazol-2-yl)phenyl]acetamide
CID 119822806
1,2-dimethylbenzimidazole;formaldehyde;methanol
CID 90743807
2-methoxy-N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]acetamide
CID 751110
methyl (2S)-2-[(1-methylbenzimidazol-2-yl)methylamino]propanoate
CID 55242093
1-(2-methoxyphenyl)-2-(1-methylbenzimidazol-2-yl)ethanone
CID 79755499

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-5-(1-methylbenzimidazol-2-yl)-4,5-dihydro-1,3-oxazole-4-carboxylate?
The IUPAC name of methyl 2-methyl-5-(1-methylbenzimidazol-2-yl)-4,5-dihydro-1,3-oxazole-4-carboxylate (CID 139762789) is methyl 2-methyl-5-(1-methylbenzimidazol-2-yl)-4,5-dihydro-1,3-oxazole-4-carboxylate.
What is the SMILES notation for methyl 2-methyl-5-(1-methylbenzimidazol-2-yl)-4,5-dihydro-1,3-oxazole-4-carboxylate?
The canonical SMILES for methyl 2-methyl-5-(1-methylbenzimidazol-2-yl)-4,5-dihydro-1,3-oxazole-4-carboxylate is COC(=O)C1N=C(C)OC1c1nc2ccccc2n1C.
What is the InChIKey of methyl 2-methyl-5-(1-methylbenzimidazol-2-yl)-4,5-dihydro-1,3-oxazole-4-carboxylate?
The InChIKey is NOOVYDOIGAGULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-8-15-11(14(18)19-3)12(20-8)13-16-9-6-4-5-7-10(9)17(13)2/h4-7,11-12H,1-3H3.
What are the key properties of methyl 2-methyl-5-(1-methylbenzimidazol-2-yl)-4,5-dihydro-1,3-oxazole-4-carboxylate?
methyl 2-methyl-5-(1-methylbenzimidazol-2-yl)-4,5-dihydro-1,3-oxazole-4-carboxylate has a molecular weight of 273.29 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-5-(1-methylbenzimidazol-2-yl)-4,5-dihydro-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 139762789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).