butan-1-ol;tert-butyl N-[(2S)-1-hydroxy-1-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]propan-2-yl]carbamate

C16H31N3O6 — CID 69455363

IUPACbutan-1-ol;tert-butyl N-[(2S)-1-hydroxy-1-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]propan-2-yl]carbamate
SMILESCCCCO.COCc1nnc(C(O)[C@H](C)NC(=O)OC(C)(C)C)o1
InChIInChI=1S/C12H21N3O5.C4H10O/c1-7(13-11(17)20-12(2,3)4)9(16)10-15-14-8(19-10)6-18-5;1-2-3-4-5/h7,9,16H,6H2,1-5H3,(H,13,17);5H,2-4H2,1H3/t7-,9?;/m0./s1
InChIKeyMJRIMHAVWLVJTN-MCNHTDSKSA-N
MW361.44 g/mol
LogP1.94
Rot. Bonds7

About butan-1-ol;tert-butyl N-[(2S)-1-hydroxy-1-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]propan-2-yl]carbamate

butan-1-ol;tert-butyl N-[(2S)-1-hydroxy-1-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]propan-2-yl]carbamate (PubChem CID 69455363) has the molecular formula C16H31N3O6 and a molecular weight of 361.44 g/mol. Its IUPAC name is butan-1-ol;tert-butyl N-[(2S)-1-hydroxy-1-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]propan-2-yl]carbamate.

Molecular Properties

Compound Namebutan-1-ol;tert-butyl N-[(2S)-1-hydroxy-1-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]propan-2-yl]carbamate
PubChem CID69455363
Molecular FormulaC16H31N3O6
Molecular Weight361.44 g/mol
Exact Mass361.22
IUPAC Namebutan-1-ol;tert-butyl N-[(2S)-1-hydroxy-1-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]propan-2-yl]carbamate
SMILESCCCCO.COCc1nnc(C(O)[C@H](C)NC(=O)OC(C)(C)C)o1
InChIInChI=1S/C12H21N3O5.C4H10O/c1-7(13-11(17)20-12(2,3)4)9(16)10-15-14-8(19-10)6-18-5;1-2-3-4-5/h7,9,16H,6H2,1-5H3,(H,13,17);5H,2-4H2,1H3/t7-,9?;/m0./s1
InChIKeyMJRIMHAVWLVJTN-MCNHTDSKSA-N
XLogP1.94
TPSA126.94 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

tert-butyl N-[1-[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]-2-butoxypropyl]carbamate
CID 142301301
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CID 121454125
tert-butyl N-[(2S,3R)-3-hydroxyhexan-2-yl]carbamate
CID 88613419
tert-butyl N-[(2S)-3-hydroxyhexan-2-yl]carbamate
CID 87514848
tert-butyl N-[(2R)-3-methylbutan-2-yl]carbamate
CID 11014358
tert-butyl N-[(1R,2S)-1-(1-tert-butyltetrazol-5-yl)-1-hydroxypropan-2-yl]carbamate
CID 101458585
tert-butyl N-[(2R)-heptan-2-yl]carbamate
CID 25171533
tert-butyl N-[1-hydroxy-1-(methoxymethylamino)propan-2-yl]carbamate
CID 141468763
tert-butyl N-[(2S,3S)-2-hydroxyheptan-3-yl]carbamate
CID 23243729
tert-butyl N-[(2S,3S,6R,7S)-3,6-dihydroxy-7-[(2-methylpropan-2-yl)oxycarbonylamino]octan-2-yl]carbamate
CID 11079337
tert-butyl 1-[[5-[2-butoxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3,4-oxadiazol-2-yl]methylcarbamoyl]pyrrolidine-2-carboxylate
CID 134345180
tert-butyl N-[(1R,2R)-1-(furan-2-yl)-1-hydroxypropan-2-yl]carbamate
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Frequently Asked Questions

What is the IUPAC name of butan-1-ol;tert-butyl N-[(2S)-1-hydroxy-1-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]propan-2-yl]carbamate?
The IUPAC name of butan-1-ol;tert-butyl N-[(2S)-1-hydroxy-1-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]propan-2-yl]carbamate (CID 69455363) is butan-1-ol;tert-butyl N-[(2S)-1-hydroxy-1-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]propan-2-yl]carbamate.
What is the SMILES notation for butan-1-ol;tert-butyl N-[(2S)-1-hydroxy-1-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]propan-2-yl]carbamate?
The canonical SMILES for butan-1-ol;tert-butyl N-[(2S)-1-hydroxy-1-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]propan-2-yl]carbamate is CCCCO.COCc1nnc(C(O)[C@H](C)NC(=O)OC(C)(C)C)o1.
What is the InChIKey of butan-1-ol;tert-butyl N-[(2S)-1-hydroxy-1-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]propan-2-yl]carbamate?
The InChIKey is MJRIMHAVWLVJTN-MCNHTDSKSA-N. The full InChI is InChI=1S/C12H21N3O5.C4H10O/c1-7(13-11(17)20-12(2,3)4)9(16)10-15-14-8(19-10)6-18-5;1-2-3-4-5/h7,9,16H,6H2,1-5H3,(H,13,17);5H,2-4H2,1H3/t7-,9?;/m0./s1.
What are the key properties of butan-1-ol;tert-butyl N-[(2S)-1-hydroxy-1-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]propan-2-yl]carbamate?
butan-1-ol;tert-butyl N-[(2S)-1-hydroxy-1-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]propan-2-yl]carbamate has a molecular weight of 361.44 g/mol, XLogP of 1.94, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for butan-1-ol;tert-butyl N-[(2S)-1-hydroxy-1-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]propan-2-yl]carbamate is sourced from PubChem (CID 69455363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).