tert-butyl N-[[1-[5-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]carbamate

C18H25N5O3 — CID 163587565

IUPACtert-butyl N-[[1-[5-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1(c2noc(C3CCc4nc[nH]c4C3)n2)CC1
InChIInChI=1S/C18H25N5O3/c1-17(2,3)25-16(24)19-9-18(6-7-18)15-22-14(26-23-15)11-4-5-12-13(8-11)21-10-20-12/h10-11H,4-9H2,1-3H3,(H,19,24)(H,20,21)
InChIKeyGMTNKOTYCVLLMR-UHFFFAOYSA-N
MW359.43 g/mol
LogP2.62
Rot. Bonds4

About tert-butyl N-[[1-[5-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]carbamate

tert-butyl N-[[1-[5-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]carbamate (PubChem CID 163587565) has the molecular formula C18H25N5O3 and a molecular weight of 359.43 g/mol. Its IUPAC name is tert-butyl N-[[1-[5-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[1-[5-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]carbamate
PubChem CID163587565
Molecular FormulaC18H25N5O3
Molecular Weight359.43 g/mol
Exact Mass359.20
IUPAC Nametert-butyl N-[[1-[5-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1(c2noc(C3CCc4nc[nH]c4C3)n2)CC1
InChIInChI=1S/C18H25N5O3/c1-17(2,3)25-16(24)19-9-18(6-7-18)15-22-14(26-23-15)11-4-5-12-13(8-11)21-10-20-12/h10-11H,4-9H2,1-3H3,(H,19,24)(H,20,21)
InChIKeyGMTNKOTYCVLLMR-UHFFFAOYSA-N
XLogP2.62
TPSA105.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[1-[5-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[1-[5-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]carbamate (CID 163587565) is tert-butyl N-[[1-[5-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[1-[5-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[1-[5-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]carbamate is CC(C)(C)OC(=O)NCC1(c2noc(C3CCc4nc[nH]c4C3)n2)CC1.
What is the InChIKey of tert-butyl N-[[1-[5-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]carbamate?
The InChIKey is GMTNKOTYCVLLMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O3/c1-17(2,3)25-16(24)19-9-18(6-7-18)15-22-14(26-23-15)11-4-5-12-13(8-11)21-10-20-12/h10-11H,4-9H2,1-3H3,(H,19,24)(H,20,21).
What are the key properties of tert-butyl N-[[1-[5-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]carbamate?
tert-butyl N-[[1-[5-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]carbamate has a molecular weight of 359.43 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[1-[5-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclopropyl]methyl]carbamate is sourced from PubChem (CID 163587565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).