tert-butyl N-[(1S,5R)-3-[5-[2-fluoro-4-[(5R)-5-methyl-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamate

C25H29FN4O4 — CID 91226102

IUPACtert-butyl N-[(1S,5R)-3-[5-[2-fluoro-4-[(5R)-5-methyl-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamate
SMILESC[C@@H]1CN(c2ccc(-c3ccc(N4C[C@@H]5C(NC(=O)OC(C)(C)C)[C@@H]5C4)nc3)c(F)c2)C(=O)O1
InChIInChI=1S/C25H29FN4O4/c1-14-11-30(24(32)33-14)16-6-7-17(20(26)9-16)15-5-8-21(27-10-15)29-12-18-19(13-29)22(18)28-23(31)34-25(2,3)4/h5-10,14,18-19,22H,11-13H2,1-4H3,(H,28,31)/t14-,18-,19+,22?/m1/s1
InChIKeyDXXQPJCVPJBTGA-VDTIXWRXSA-N
MW468.53 g/mol
LogP4.19
Rot. Bonds4

About tert-butyl N-[(1S,5R)-3-[5-[2-fluoro-4-[(5R)-5-methyl-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamate

tert-butyl N-[(1S,5R)-3-[5-[2-fluoro-4-[(5R)-5-methyl-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamate (PubChem CID 91226102) has the molecular formula C25H29FN4O4 and a molecular weight of 468.53 g/mol. Its IUPAC name is tert-butyl N-[(1S,5R)-3-[5-[2-fluoro-4-[(5R)-5-methyl-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S,5R)-3-[5-[2-fluoro-4-[(5R)-5-methyl-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamate
PubChem CID91226102
Molecular FormulaC25H29FN4O4
Molecular Weight468.53 g/mol
Exact Mass468.22
IUPAC Nametert-butyl N-[(1S,5R)-3-[5-[2-fluoro-4-[(5R)-5-methyl-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamate
SMILESC[C@@H]1CN(c2ccc(-c3ccc(N4C[C@@H]5C(NC(=O)OC(C)(C)C)[C@@H]5C4)nc3)c(F)c2)C(=O)O1
InChIInChI=1S/C25H29FN4O4/c1-14-11-30(24(32)33-14)16-6-7-17(20(26)9-16)15-5-8-21(27-10-15)29-12-18-19(13-29)22(18)28-23(31)34-25(2,3)4/h5-10,14,18-19,22H,11-13H2,1-4H3,(H,28,31)/t14-,18-,19+,22?/m1/s1
InChIKeyDXXQPJCVPJBTGA-VDTIXWRXSA-N
XLogP4.19
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.53
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[(1S,5R)-3-[5-[2-fluoro-4-[(5R)-5-methyl-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamate with MolForge

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Launch Full Analysis

Related Compounds

N-[5-[2-fluoro-4-(5-methyl-2-oxo-1,3-oxazolidin-3-yl)phenyl]-2-pyridinyl]-2-hydroxypropanamide
CID 23438593
(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-5-methyl-1,3-oxazolidin-2-one
CID 67012308
tert-butyl N-[(1R,5S)-3-[3-fluoro-5-[4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamate
CID 11421287
tert-butyl N-[(1R,5S)-6-[5-[4-(5-acetamido-2-oxo-1,3-oxazolidin-3-yl)-2-fluorophenyl]-2-pyridinyl]-3-oxabicyclo[3.1.0]hexan-6-yl]carbamate
CID 70973614
N-[(5S)-3-[3-fluoro-4-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-methylacetamide
CID 91166814
N-[[(5S)-3-[4-[6-(4-acetamidopiperidin-1-yl)-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 67551168
tert-butyl N-[3-[4-[5-[[(2,2-difluoroethanethioyl)amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamate
CID 20771030
tert-butyl N-[6-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-oxabicyclo[3.1.0]hexan-6-yl]carbamate
CID 68615492
N-[(5S)-3-[3-fluoro-4-(6-piperazin-1-yl-3-pyridinyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-methylacetamide
CID 67550647
methyl N-[(3R,4R)-1-[2-fluoro-4-(5-methyl-2-oxo-1,3-oxazolidin-3-yl)phenyl]-4-methylpyrrolidin-3-yl]carbamate
CID 173302482
3-[4-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-fluorophenyl]-5-methyl-1,3-oxazolidin-2-one
CID 123298468
3-[4-[4-(chloromethyl)phenyl]-3-fluorophenyl]-5-methyl-1,3-oxazolidin-2-one
CID 143068646

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S,5R)-3-[5-[2-fluoro-4-[(5R)-5-methyl-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamate?
The IUPAC name of tert-butyl N-[(1S,5R)-3-[5-[2-fluoro-4-[(5R)-5-methyl-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamate (CID 91226102) is tert-butyl N-[(1S,5R)-3-[5-[2-fluoro-4-[(5R)-5-methyl-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S,5R)-3-[5-[2-fluoro-4-[(5R)-5-methyl-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamate?
The canonical SMILES for tert-butyl N-[(1S,5R)-3-[5-[2-fluoro-4-[(5R)-5-methyl-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamate is C[C@@H]1CN(c2ccc(-c3ccc(N4C[C@@H]5C(NC(=O)OC(C)(C)C)[C@@H]5C4)nc3)c(F)c2)C(=O)O1.
What is the InChIKey of tert-butyl N-[(1S,5R)-3-[5-[2-fluoro-4-[(5R)-5-methyl-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamate?
The InChIKey is DXXQPJCVPJBTGA-VDTIXWRXSA-N. The full InChI is InChI=1S/C25H29FN4O4/c1-14-11-30(24(32)33-14)16-6-7-17(20(26)9-16)15-5-8-21(27-10-15)29-12-18-19(13-29)22(18)28-23(31)34-25(2,3)4/h5-10,14,18-19,22H,11-13H2,1-4H3,(H,28,31)/t14-,18-,19+,22?/m1/s1.
What are the key properties of tert-butyl N-[(1S,5R)-3-[5-[2-fluoro-4-[(5R)-5-methyl-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamate?
tert-butyl N-[(1S,5R)-3-[5-[2-fluoro-4-[(5R)-5-methyl-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamate has a molecular weight of 468.53 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S,5R)-3-[5-[2-fluoro-4-[(5R)-5-methyl-2-oxo-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamate is sourced from PubChem (CID 91226102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).