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

C16H25F2N3O4 — CID 125452939

IUPACtert-butyl N-[(1R,3S)-3-[[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-hydroxycyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CCC[C@@](O)(Cc2nc(C(C)(F)F)no2)C1
InChIInChI=1S/C16H25F2N3O4/c1-14(2,3)24-13(22)19-10-6-5-7-16(23,8-10)9-11-20-12(21-25-11)15(4,17)18/h10,23H,5-9H2,1-4H3,(H,19,22)/t10-,16+/m1/s1
InChIKeyJWZMZEKOFKWVOA-HWPZZCPQSA-N
MW361.39 g/mol
LogP2.92
Rot. Bonds4

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

tert-butyl N-[(1R,3S)-3-[[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-hydroxycyclohexyl]carbamate (PubChem CID 125452939) has the molecular formula C16H25F2N3O4 and a molecular weight of 361.39 g/mol. Its IUPAC name is tert-butyl N-[(1R,3S)-3-[[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-hydroxycyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R,3S)-3-[[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-hydroxycyclohexyl]carbamate
PubChem CID125452939
Molecular FormulaC16H25F2N3O4
Molecular Weight361.39 g/mol
Exact Mass361.18
IUPAC Nametert-butyl N-[(1R,3S)-3-[[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-hydroxycyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CCC[C@@](O)(Cc2nc(C(C)(F)F)no2)C1
InChIInChI=1S/C16H25F2N3O4/c1-14(2,3)24-13(22)19-10-6-5-7-16(23,8-10)9-11-20-12(21-25-11)15(4,17)18/h10,23H,5-9H2,1-4H3,(H,19,22)/t10-,16+/m1/s1
InChIKeyJWZMZEKOFKWVOA-HWPZZCPQSA-N
XLogP2.92
TPSA97.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.39
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[(1R,3R)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-hydroxycyclohexyl]carbamate
CID 125454983
tert-butyl N-[4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-4-hydroxycyclohexyl]carbamate
CID 125453081
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-[(1R)-3,3-difluorocyclopentyl]carbamate
CID 58484972
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 N-[(5S,7S)-1-oxo-2-azaspiro[4.5]decan-7-yl]carbamate
CID 67108890
tert-butyl N-(2-aminospiro[3.5]nonan-8-yl)carbamate;hydrochloride
CID 155894270
tert-butyl N-[3-[(1-hydroxy-3-methylcyclohexyl)methylamino]cyclobutyl]carbamate
CID 103759654
tert-butyl N-[4-hydroxy-4-(iodomethyl)cyclohexyl]carbamate
CID 134289716
tert-butyl N-[(5S,7R)-2-azaspiro[4.5]decan-7-yl]carbamate
CID 97299724
tert-butyl N-[(1S)-2,2-difluorocyclopropyl]carbamate
CID 52908307

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R,3S)-3-[[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-hydroxycyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[(1R,3S)-3-[[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-hydroxycyclohexyl]carbamate (CID 125452939) is tert-butyl N-[(1R,3S)-3-[[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-hydroxycyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R,3S)-3-[[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-hydroxycyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R,3S)-3-[[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-hydroxycyclohexyl]carbamate is CC(C)(C)OC(=O)N[C@@H]1CCC[C@@](O)(Cc2nc(C(C)(F)F)no2)C1.
What is the InChIKey of tert-butyl N-[(1R,3S)-3-[[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-hydroxycyclohexyl]carbamate?
The InChIKey is JWZMZEKOFKWVOA-HWPZZCPQSA-N. The full InChI is InChI=1S/C16H25F2N3O4/c1-14(2,3)24-13(22)19-10-6-5-7-16(23,8-10)9-11-20-12(21-25-11)15(4,17)18/h10,23H,5-9H2,1-4H3,(H,19,22)/t10-,16+/m1/s1.
What are the key properties of tert-butyl N-[(1R,3S)-3-[[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-hydroxycyclohexyl]carbamate?
tert-butyl N-[(1R,3S)-3-[[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-hydroxycyclohexyl]carbamate has a molecular weight of 361.39 g/mol, XLogP of 2.92, 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,3S)-3-[[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-hydroxycyclohexyl]carbamate is sourced from PubChem (CID 125452939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).