tert-butyl N-[(1R,3R)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-hydroxycyclohexyl]carbamate

C17H27N3O4 — CID 125454983

IUPACtert-butyl N-[(1R,3R)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-hydroxycyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CCC[C@](O)(Cc2nc(C3CC3)no2)C1
InChIInChI=1S/C17H27N3O4/c1-16(2,3)23-15(21)18-12-5-4-8-17(22,9-12)10-13-19-14(20-24-13)11-6-7-11/h11-12,22H,4-10H2,1-3H3,(H,18,21)/t12-,17-/m1/s1
InChIKeyYPQWVBKAZVAIJS-SJKOYZFVSA-N
MW337.42 g/mol
LogP2.69
Rot. Bonds4

About tert-butyl N-[(1R,3R)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-hydroxycyclohexyl]carbamate

tert-butyl N-[(1R,3R)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-hydroxycyclohexyl]carbamate (PubChem CID 125454983) has the molecular formula C17H27N3O4 and a molecular weight of 337.42 g/mol. Its IUPAC name is tert-butyl N-[(1R,3R)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-hydroxycyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R,3R)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-hydroxycyclohexyl]carbamate
PubChem CID125454983
Molecular FormulaC17H27N3O4
Molecular Weight337.42 g/mol
Exact Mass337.20
IUPAC Nametert-butyl N-[(1R,3R)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-hydroxycyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CCC[C@](O)(Cc2nc(C3CC3)no2)C1
InChIInChI=1S/C17H27N3O4/c1-16(2,3)23-15(21)18-12-5-4-8-17(22,9-12)10-13-19-14(20-24-13)11-6-7-11/h11-12,22H,4-10H2,1-3H3,(H,18,21)/t12-,17-/m1/s1
InChIKeyYPQWVBKAZVAIJS-SJKOYZFVSA-N
XLogP2.69
TPSA97.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[(1R,3R)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-hydroxycyclohexyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[(1R,3S)-3-[[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-hydroxycyclohexyl]carbamate
CID 125452939
tert-butyl N-[4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-4-hydroxycyclohexyl]carbamate
CID 125453081
trans-(3S,5S)-1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3,5-dimethylcyclohexan-1-ol
CID 125452075
4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]oxan-4-ol
CID 125454590
tert-butyl N-[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]cyclohexyl]carbamate
CID 103720143
tert-butyl N-(3-methoxy-3-methylcyclohexyl)carbamate
CID 90063142
tert-butyl 4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]piperidine-1-carboxylate
CID 55950542
tert-butyl N-[(1R)-3,3-difluorocyclopentyl]carbamate
CID 58484972
tert-butyl N-[(5S,7S)-1-oxo-2-azaspiro[4.5]decan-7-yl]carbamate
CID 67108890
trans-(1R,3S)-1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-3-propan-2-ylcyclohexan-1-ol
CID 125454487
tert-butyl N-(2-aminospiro[3.5]nonan-8-yl)carbamate;hydrochloride
CID 155894270
tert-butyl (3R)-3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-3-hydroxypiperidine-1-carboxylate
CID 125451368

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R,3R)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-hydroxycyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[(1R,3R)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-hydroxycyclohexyl]carbamate (CID 125454983) is tert-butyl N-[(1R,3R)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-hydroxycyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R,3R)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-hydroxycyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R,3R)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-hydroxycyclohexyl]carbamate is CC(C)(C)OC(=O)N[C@@H]1CCC[C@](O)(Cc2nc(C3CC3)no2)C1.
What is the InChIKey of tert-butyl N-[(1R,3R)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-hydroxycyclohexyl]carbamate?
The InChIKey is YPQWVBKAZVAIJS-SJKOYZFVSA-N. The full InChI is InChI=1S/C17H27N3O4/c1-16(2,3)23-15(21)18-12-5-4-8-17(22,9-12)10-13-19-14(20-24-13)11-6-7-11/h11-12,22H,4-10H2,1-3H3,(H,18,21)/t12-,17-/m1/s1.
What are the key properties of tert-butyl N-[(1R,3R)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-hydroxycyclohexyl]carbamate?
tert-butyl N-[(1R,3R)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-hydroxycyclohexyl]carbamate has a molecular weight of 337.42 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R,3R)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-hydroxycyclohexyl]carbamate is sourced from PubChem (CID 125454983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).