tert-butyl N-[(2S)-1-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-1-hydroxybutan-2-yl]-N-methylcarbamate

C15H25N3O4 — CID 143041288

IUPACtert-butyl N-[(2S)-1-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-1-hydroxybutan-2-yl]-N-methylcarbamate
SMILESCC[C@@H](C(O)c1nnc(C2CC2)o1)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C15H25N3O4/c1-6-10(18(5)14(20)22-15(2,3)4)11(19)13-17-16-12(21-13)9-7-8-9/h9-11,19H,6-8H2,1-5H3/t10-,11?/m0/s1
InChIKeyWRYRCTHNHDINHJ-VUWPPUDQSA-N
MW311.38 g/mol
LogP2.63
Rot. Bonds5

About tert-butyl N-[(2S)-1-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-1-hydroxybutan-2-yl]-N-methylcarbamate

tert-butyl N-[(2S)-1-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-1-hydroxybutan-2-yl]-N-methylcarbamate (PubChem CID 143041288) has the molecular formula C15H25N3O4 and a molecular weight of 311.38 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-1-hydroxybutan-2-yl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-1-hydroxybutan-2-yl]-N-methylcarbamate
PubChem CID143041288
Molecular FormulaC15H25N3O4
Molecular Weight311.38 g/mol
Exact Mass311.18
IUPAC Nametert-butyl N-[(2S)-1-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-1-hydroxybutan-2-yl]-N-methylcarbamate
SMILESCC[C@@H](C(O)c1nnc(C2CC2)o1)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C15H25N3O4/c1-6-10(18(5)14(20)22-15(2,3)4)11(19)13-17-16-12(21-13)9-7-8-9/h9-11,19H,6-8H2,1-5H3/t10-,11?/m0/s1
InChIKeyWRYRCTHNHDINHJ-VUWPPUDQSA-N
XLogP2.63
TPSA88.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[(2S)-1-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-1-hydroxybutan-2-yl]-N-methylcarbamate with MolForge

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Related Compounds

tert-butyl N-[(2S)-1-hydroxy-1-[5-[4-(trifluoromethoxy)cyclohexyl]-1,3,4-oxadiazol-2-yl]butan-2-yl]carbamate
CID 143041323
tert-butyl N-methyl-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)cyclohexyl]carbamate
CID 166985995
tert-butyl N-methyl-N-pentan-3-ylcarbamate
CID 63787817
tert-butyl N-[(2R,3S)-3-(methoxymethoxy)-1-(oxiran-2-yl)pentan-2-yl]-N-methylcarbamate
CID 11846164
methyl (3R)-4-methyl-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexanoate
CID 10659864
2-cyclopropyl-5-(1-methylsulfanylethyl)-1,3,4-oxadiazole
CID 126996136
3-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate
CID 4639500
tert-butyl N-[(2R)-1-hydroxypropan-2-yl]-N-methylcarbamate
CID 131045912
tert-butyl N-methyl-N-[(3R)-1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]carbamate
CID 97019049
tert-butyl N-[1-(dimethylcarbamoylamino)propyl]-N-methylcarbamate
CID 139666952
tert-butyl N-[(2S)-1-amino-3-(oxan-4-yl)-1-oxopropan-2-yl]-N-methylcarbamate
CID 58330029
tert-butyl 4-(5-amino-1,3,4-oxadiazol-2-yl)piperidine-1-carboxylate
CID 95566122

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-1-hydroxybutan-2-yl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[(2S)-1-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-1-hydroxybutan-2-yl]-N-methylcarbamate (CID 143041288) is tert-butyl N-[(2S)-1-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-1-hydroxybutan-2-yl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[(2S)-1-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-1-hydroxybutan-2-yl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[(2S)-1-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-1-hydroxybutan-2-yl]-N-methylcarbamate is CC[C@@H](C(O)c1nnc(C2CC2)o1)N(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2S)-1-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-1-hydroxybutan-2-yl]-N-methylcarbamate?
The InChIKey is WRYRCTHNHDINHJ-VUWPPUDQSA-N. The full InChI is InChI=1S/C15H25N3O4/c1-6-10(18(5)14(20)22-15(2,3)4)11(19)13-17-16-12(21-13)9-7-8-9/h9-11,19H,6-8H2,1-5H3/t10-,11?/m0/s1.
What are the key properties of tert-butyl N-[(2S)-1-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-1-hydroxybutan-2-yl]-N-methylcarbamate?
tert-butyl N-[(2S)-1-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-1-hydroxybutan-2-yl]-N-methylcarbamate has a molecular weight of 311.38 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-1-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-1-hydroxybutan-2-yl]-N-methylcarbamate is sourced from PubChem (CID 143041288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).