ethyl N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]carbamate

C11H19N3O3 — CID 90326142

IUPACethyl N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]carbamate
SMILESCCOC(=O)NC(CC)c1nc(C(C)C)no1
InChIInChI=1S/C11H19N3O3/c1-5-8(12-11(15)16-6-2)10-13-9(7(3)4)14-17-10/h7-8H,5-6H2,1-4H3,(H,12,15)
InChIKeyYMLKTMLJGYJVCK-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.39
Rot. Bonds5

About ethyl N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]carbamate

ethyl N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]carbamate (PubChem CID 90326142) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is ethyl N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]carbamate.

Molecular Properties

Compound Nameethyl N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]carbamate
PubChem CID90326142
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Nameethyl N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]carbamate
SMILESCCOC(=O)NC(CC)c1nc(C(C)C)no1
InChIInChI=1S/C11H19N3O3/c1-5-8(12-11(15)16-6-2)10-13-9(7(3)4)14-17-10/h7-8H,5-6H2,1-4H3,(H,12,15)
InChIKeyYMLKTMLJGYJVCK-UHFFFAOYSA-N
XLogP2.39
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)acetate
CID 79004032
5-[(2R)-butan-2-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 90326086
9H-fluoren-9-ylmethyl N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]carbamate
CID 134259383
ethyl 2-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]butanoate
CID 116632875
ethyl 2-(3-propyl-1,2,4-oxadiazol-5-yl)propanoate
CID 79020555
N-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-4-carboxamide
CID 99942965
2-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]pentan-3-one
CID 116732543
ethyl 2-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]butanoate
CID 116704739
ethyl N-[(1S)-1-(4-bromophenyl)propyl]carbamate
CID 95358471
ethyl N-propan-2-ylcarbamate;hydrochloride
CID 23364233
5-methyl-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrazine-2-carboxamide
CID 131900670
2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 62676276

Frequently Asked Questions

What is the IUPAC name of ethyl N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]carbamate?
The IUPAC name of ethyl N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]carbamate (CID 90326142) is ethyl N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]carbamate.
What is the SMILES notation for ethyl N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]carbamate?
The canonical SMILES for ethyl N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]carbamate is CCOC(=O)NC(CC)c1nc(C(C)C)no1.
What is the InChIKey of ethyl N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]carbamate?
The InChIKey is YMLKTMLJGYJVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-5-8(12-11(15)16-6-2)10-13-9(7(3)4)14-17-10/h7-8H,5-6H2,1-4H3,(H,12,15).
What are the key properties of ethyl N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]carbamate?
ethyl N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]carbamate has a molecular weight of 241.29 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]carbamate is sourced from PubChem (CID 90326142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).