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

C15H18ClN3O3 — CID 90414461

IUPACtert-butyl N-[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]carbamate
SMILESC[C@H](NC(=O)OC(C)(C)C)c1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C15H18ClN3O3/c1-9(17-14(20)21-15(2,3)4)13-18-12(19-22-13)10-5-7-11(16)8-6-10/h5-9H,1-4H3,(H,17,20)/t9-/m0/s1
InChIKeyVGHVZLJXCLMGQX-VIFPVBQESA-N
MW323.78 g/mol
LogP3.98
Rot. Bonds3

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

tert-butyl N-[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]carbamate (PubChem CID 90414461) has the molecular formula C15H18ClN3O3 and a molecular weight of 323.78 g/mol. Its IUPAC name is tert-butyl N-[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]carbamate
PubChem CID90414461
Molecular FormulaC15H18ClN3O3
Molecular Weight323.78 g/mol
Exact Mass323.10
IUPAC Nametert-butyl N-[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]carbamate
SMILESC[C@H](NC(=O)OC(C)(C)C)c1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C15H18ClN3O3/c1-9(17-14(20)21-15(2,3)4)13-18-12(19-22-13)10-5-7-11(16)8-6-10/h5-9H,1-4H3,(H,17,20)/t9-/m0/s1
InChIKeyVGHVZLJXCLMGQX-VIFPVBQESA-N
XLogP3.98
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.78
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[(1S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]carbamate
CID 56770452
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-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]ethyl]carbamate
CID 97179370
N-[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2,5-difluorobenzamide
CID 95782686
N-[1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopentanecarboxamide
CID 83280920
N-[1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide
CID 6459013
tert-butyl N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]carbamate
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N-[1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methoxybenzamide
CID 17101518
tert-butyl N-[(1S)-1-[3-[2-(cyclopropylmethoxy)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]carbamate
CID 162768054
tert-butyl N-[(1S)-1-(4-chlorophenyl)ethyl]carbamate
CID 81353770
N-[(1R)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(methanesulfonamido)propanamide
CID 125163461
2-(4-chlorophenoxy)-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]carbamate (CID 90414461) is tert-butyl N-[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]carbamate is C[C@H](NC(=O)OC(C)(C)C)c1nc(-c2ccc(Cl)cc2)no1.
What is the InChIKey of tert-butyl N-[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]carbamate?
The InChIKey is VGHVZLJXCLMGQX-VIFPVBQESA-N. The full InChI is InChI=1S/C15H18ClN3O3/c1-9(17-14(20)21-15(2,3)4)13-18-12(19-22-13)10-5-7-11(16)8-6-10/h5-9H,1-4H3,(H,17,20)/t9-/m0/s1.
What are the key properties of tert-butyl N-[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]carbamate?
tert-butyl N-[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]carbamate has a molecular weight of 323.78 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]carbamate is sourced from PubChem (CID 90414461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).