tert-butyl N-[2-[5-(imidazol-1-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]carbamate

C14H21N5O3 — CID 47077871

IUPACtert-butyl N-[2-[5-(imidazol-1-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(C)(C)c1noc(Cn2ccnc2)n1
InChIInChI=1S/C14H21N5O3/c1-13(2,3)21-12(20)17-14(4,5)11-16-10(22-18-11)8-19-7-6-15-9-19/h6-7,9H,8H2,1-5H3,(H,17,20)
InChIKeyIZINCWOKTLXNEM-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.07
Rot. Bonds4

About tert-butyl N-[2-[5-(imidazol-1-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]carbamate

tert-butyl N-[2-[5-(imidazol-1-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]carbamate (PubChem CID 47077871) has the molecular formula C14H21N5O3 and a molecular weight of 307.35 g/mol. Its IUPAC name is tert-butyl N-[2-[5-(imidazol-1-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[5-(imidazol-1-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]carbamate
PubChem CID47077871
Molecular FormulaC14H21N5O3
Molecular Weight307.35 g/mol
Exact Mass307.16
IUPAC Nametert-butyl N-[2-[5-(imidazol-1-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(C)(C)c1noc(Cn2ccnc2)n1
InChIInChI=1S/C14H21N5O3/c1-13(2,3)21-12(20)17-14(4,5)11-16-10(22-18-11)8-19-7-6-15-9-19/h6-7,9H,8H2,1-5H3,(H,17,20)
InChIKeyIZINCWOKTLXNEM-UHFFFAOYSA-N
XLogP2.07
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze tert-butyl N-[2-[5-(imidazol-1-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]carbamate with MolForge

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Related Compounds

tert-butyl N-[2-[5-[(1-methylimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]carbamate
CID 47500639
3-Ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-oxadiazole
CID 53014747
5-(1H-imidazol-1-ylmethyl)-3-propyl-1,2,4-oxadiazole
CID 53164448
2-[5-(1H-imidazol-1-ylmethyl)-1,2,4-oxadiazol-3-yl]ethyl methyl ether
CID 53164449
3-(2-methoxyethyl)-5-[(2-methyl-1H-imidazol-1-yl)methyl]-1,2,4-oxadiazole
CID 53164459
5-[(2-Ethylimidazol-1-yl)methyl]-3-propyl-1,2,4-oxadiazole
CID 53164482
5-[(2-Ethyl-1H-imidazol-1-YL)methyl]-3-(propan-2-YL)-1,2,4-oxadiazole
CID 53164483
5-[(2-Methylimidazol-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 53014748
2-{5-[(2-ethyl-1H-imidazol-1-yl)methyl]-1,2,4-oxadiazol-3-yl}ethyl methyl ether
CID 53164485
3-(Methoxymethyl)-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1,2,4-oxadiazole
CID 75500257
N-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1-propyl-1H-imidazol-2-yl)methyl]methanamine
CID 77080704
N-methyl-5-({methyl[2-(2-methyl-1H-imidazol-1-yl)ethyl]amino}methyl)-1,2,4-oxadiazole-3-carboxamide
CID 91828559

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[5-(imidazol-1-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[2-[5-(imidazol-1-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]carbamate (CID 47077871) is tert-butyl N-[2-[5-(imidazol-1-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[5-(imidazol-1-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[2-[5-(imidazol-1-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]carbamate is CC(C)(C)OC(=O)NC(C)(C)c1noc(Cn2ccnc2)n1.
What is the InChIKey of tert-butyl N-[2-[5-(imidazol-1-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]carbamate?
The InChIKey is IZINCWOKTLXNEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O3/c1-13(2,3)21-12(20)17-14(4,5)11-16-10(22-18-11)8-19-7-6-15-9-19/h6-7,9H,8H2,1-5H3,(H,17,20).
What are the key properties of tert-butyl N-[2-[5-(imidazol-1-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]carbamate?
tert-butyl N-[2-[5-(imidazol-1-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]carbamate has a molecular weight of 307.35 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[5-(imidazol-1-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]carbamate is sourced from PubChem (CID 47077871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).