tert-butyl N-[(1S)-1-[3-[2-(cyclopropylmethoxy)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]carbamate

C18H24N4O4 — CID 162768054

IUPACtert-butyl N-[(1S)-1-[3-[2-(cyclopropylmethoxy)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]carbamate
SMILESC[C@H](NC(=O)OC(C)(C)C)c1nc(-c2ccnc(OCC3CC3)c2)no1
InChIInChI=1S/C18H24N4O4/c1-11(20-17(23)25-18(2,3)4)16-21-15(22-26-16)13-7-8-19-14(9-13)24-10-12-5-6-12/h7-9,11-12H,5-6,10H2,1-4H3,(H,20,23)/t11-/m0/s1
InChIKeyFZWWOBMIEHKWTP-NSHDSACASA-N
MW360.41 g/mol
LogP3.51
Rot. Bonds6

About tert-butyl N-[(1S)-1-[3-[2-(cyclopropylmethoxy)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]carbamate

tert-butyl N-[(1S)-1-[3-[2-(cyclopropylmethoxy)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]carbamate (PubChem CID 162768054) has the molecular formula C18H24N4O4 and a molecular weight of 360.41 g/mol. Its IUPAC name is tert-butyl N-[(1S)-1-[3-[2-(cyclopropylmethoxy)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S)-1-[3-[2-(cyclopropylmethoxy)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]carbamate
PubChem CID162768054
Molecular FormulaC18H24N4O4
Molecular Weight360.41 g/mol
Exact Mass360.18
IUPAC Nametert-butyl N-[(1S)-1-[3-[2-(cyclopropylmethoxy)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]carbamate
SMILESC[C@H](NC(=O)OC(C)(C)C)c1nc(-c2ccnc(OCC3CC3)c2)no1
InChIInChI=1S/C18H24N4O4/c1-11(20-17(23)25-18(2,3)4)16-21-15(22-26-16)13-7-8-19-14(9-13)24-10-12-5-6-12/h7-9,11-12H,5-6,10H2,1-4H3,(H,20,23)/t11-/m0/s1
InChIKeyFZWWOBMIEHKWTP-NSHDSACASA-N
XLogP3.51
TPSA99.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze tert-butyl N-[(1S)-1-[3-[2-(cyclopropylmethoxy)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]carbamate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl N-[(1S)-1-[3-(2-chloro-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]carbamate
CID 162768021
tert-butyl N-[(1S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]carbamate
CID 56770452
tert-butyl N-[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]carbamate
CID 90414461
[(1S)-1-[3-[2-(2,2-difluoroethoxy)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]carbamic acid
CID 155272169
tert-butyl N-[(1S)-1-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]ethyl]carbamate
CID 97179370
[(1S)-1-[3-[2-(3,3-difluorocyclobutyl)oxy-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]carbamic acid
CID 155272235
N-[(1S)-1-[3-(2-cyclopropyloxy-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 155271733
tert-butyl N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]carbamate
CID 56770615
tert-butyl N-[(1R)-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]carbamate
CID 139331126
tert-butyl 4-[1-[3-(2-methyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethoxy]piperidine-1-carboxylate
CID 74337457
N-[(1S)-1-[3-(2-cyclopropyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 166519137
N-[(1S)-1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]cyclohexanecarboxamide
CID 167524017

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S)-1-[3-[2-(cyclopropylmethoxy)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[(1S)-1-[3-[2-(cyclopropylmethoxy)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]carbamate (CID 162768054) is tert-butyl N-[(1S)-1-[3-[2-(cyclopropylmethoxy)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S)-1-[3-[2-(cyclopropylmethoxy)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S)-1-[3-[2-(cyclopropylmethoxy)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]carbamate is C[C@H](NC(=O)OC(C)(C)C)c1nc(-c2ccnc(OCC3CC3)c2)no1.
What is the InChIKey of tert-butyl N-[(1S)-1-[3-[2-(cyclopropylmethoxy)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]carbamate?
The InChIKey is FZWWOBMIEHKWTP-NSHDSACASA-N. The full InChI is InChI=1S/C18H24N4O4/c1-11(20-17(23)25-18(2,3)4)16-21-15(22-26-16)13-7-8-19-14(9-13)24-10-12-5-6-12/h7-9,11-12H,5-6,10H2,1-4H3,(H,20,23)/t11-/m0/s1.
What are the key properties of tert-butyl N-[(1S)-1-[3-[2-(cyclopropylmethoxy)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]carbamate?
tert-butyl N-[(1S)-1-[3-[2-(cyclopropylmethoxy)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]carbamate has a molecular weight of 360.41 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S)-1-[3-[2-(cyclopropylmethoxy)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]carbamate is sourced from PubChem (CID 162768054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).