tert-butyl N-[[5-(1H-benzimidazol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]carbamate

C15H17N5O3 — CID 135921701

IUPACtert-butyl N-[[5-(1H-benzimidazol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1nnc(-c2nc3ccccc3[nH]2)o1
InChIInChI=1S/C15H17N5O3/c1-15(2,3)23-14(21)16-8-11-19-20-13(22-11)12-17-9-6-4-5-7-10(9)18-12/h4-7H,8H2,1-3H3,(H,16,21)(H,17,18)
InChIKeyFBCBLBWZGBKBIK-UHFFFAOYSA-N
MW315.33 g/mol
LogP2.64
Rot. Bonds3

About tert-butyl N-[[5-(1H-benzimidazol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]carbamate

tert-butyl N-[[5-(1H-benzimidazol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]carbamate (PubChem CID 135921701) has the molecular formula C15H17N5O3 and a molecular weight of 315.33 g/mol. Its IUPAC name is tert-butyl N-[[5-(1H-benzimidazol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[5-(1H-benzimidazol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]carbamate
PubChem CID135921701
Molecular FormulaC15H17N5O3
Molecular Weight315.33 g/mol
Exact Mass315.13
IUPAC Nametert-butyl N-[[5-(1H-benzimidazol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1nnc(-c2nc3ccccc3[nH]2)o1
InChIInChI=1S/C15H17N5O3/c1-15(2,3)23-14(21)16-8-11-19-20-13(22-11)12-17-9-6-4-5-7-10(9)18-12/h4-7H,8H2,1-3H3,(H,16,21)(H,17,18)
InChIKeyFBCBLBWZGBKBIK-UHFFFAOYSA-N
XLogP2.64
TPSA105.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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tert-butyl N-[[5-[2-(methylamino)-2-oxoethyl]-1,3,4-oxadiazol-2-yl]methyl]carbamate
CID 165033228
tert-butyl N-[(3-chloroquinoxalin-2-yl)methyl]carbamate
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2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-5-phenyl-1,3-oxazole-4-carboxylic acid
CID 66929171
tert-butyl N-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]carbamate
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tert-butyl N-[2-[2-(1H-benzimidazol-2-ylmethylamino)-2-oxoethyl]phenyl]carbamate
CID 146022175
tert-butyl N-[4-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]carbamate
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tert-butyl N-[3-[[N-[2-(1H-benzimidazol-2-yl)ethyl]-N'-methylcarbamimidoyl]amino]propyl]carbamate
CID 111887055
3-[4-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3,4-oxadiazol-2-yl]-1,3-thiazole-2-carbonyl]indole-1-carboxylic acid
CID 155269976
tert-butyl N-[[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]methyl]carbamate
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tert-butyl N-[(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)methyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[5-(1H-benzimidazol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[5-(1H-benzimidazol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]carbamate (CID 135921701) is tert-butyl N-[[5-(1H-benzimidazol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[5-(1H-benzimidazol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[5-(1H-benzimidazol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]carbamate is CC(C)(C)OC(=O)NCc1nnc(-c2nc3ccccc3[nH]2)o1.
What is the InChIKey of tert-butyl N-[[5-(1H-benzimidazol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]carbamate?
The InChIKey is FBCBLBWZGBKBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O3/c1-15(2,3)23-14(21)16-8-11-19-20-13(22-11)12-17-9-6-4-5-7-10(9)18-12/h4-7H,8H2,1-3H3,(H,16,21)(H,17,18).
What are the key properties of tert-butyl N-[[5-(1H-benzimidazol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]carbamate?
tert-butyl N-[[5-(1H-benzimidazol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]carbamate has a molecular weight of 315.33 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[5-(1H-benzimidazol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]carbamate is sourced from PubChem (CID 135921701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).