N-(cyclopropylmethyl)-3-[(4-fluorophenyl)methyl]-2-oxo-5-[3-(thiophene-2-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide

C26H24FN3O4S — CID 42840953

IUPACN-(cyclopropylmethyl)-3-[(4-fluorophenyl)methyl]-2-oxo-5-[3-(thiophene-2-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide
SMILESO=C(Nc1cccc(C2OC(=O)N(Cc3ccc(F)cc3)C2C(=O)NCC2CC2)c1)c1cccs1
InChIInChI=1S/C26H24FN3O4S/c27-19-10-8-17(9-11-19)15-30-22(25(32)28-14-16-6-7-16)23(34-26(30)33)18-3-1-4-20(13-18)29-24(31)21-5-2-12-35-21/h1-5,8-13,16,22-23H,6-7,14-15H2,(H,28,32)(H,29,31)
InChIKeySPKYCKQMUYPBLS-UHFFFAOYSA-N
MW493.56 g/mol
LogP4.73
Rot. Bonds8

About N-(cyclopropylmethyl)-3-[(4-fluorophenyl)methyl]-2-oxo-5-[3-(thiophene-2-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide

N-(cyclopropylmethyl)-3-[(4-fluorophenyl)methyl]-2-oxo-5-[3-(thiophene-2-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide (PubChem CID 42840953) has the molecular formula C26H24FN3O4S and a molecular weight of 493.56 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-3-[(4-fluorophenyl)methyl]-2-oxo-5-[3-(thiophene-2-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-3-[(4-fluorophenyl)methyl]-2-oxo-5-[3-(thiophene-2-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide
PubChem CID42840953
Molecular FormulaC26H24FN3O4S
Molecular Weight493.56 g/mol
Exact Mass493.15
IUPAC NameN-(cyclopropylmethyl)-3-[(4-fluorophenyl)methyl]-2-oxo-5-[3-(thiophene-2-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide
SMILESO=C(Nc1cccc(C2OC(=O)N(Cc3ccc(F)cc3)C2C(=O)NCC2CC2)c1)c1cccs1
InChIInChI=1S/C26H24FN3O4S/c27-19-10-8-17(9-11-19)15-30-22(25(32)28-14-16-6-7-16)23(34-26(30)33)18-3-1-4-20(13-18)29-24(31)21-5-2-12-35-21/h1-5,8-13,16,22-23H,6-7,14-15H2,(H,28,32)(H,29,31)
InChIKeySPKYCKQMUYPBLS-UHFFFAOYSA-N
XLogP4.73
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.56
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(4S,5S)-N-(4-fluorophenyl)-3-[(4-methylphenyl)methyl]-2-oxo-5-[3-(thiophene-2-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide
CID 98423544
(4S,5R)-N-(4-fluorophenyl)-3-[(4-methylphenyl)methyl]-2-oxo-5-[3-(thiophene-2-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide
CID 98423546
(4R,5R)-3-[(4-methylphenyl)methyl]-N-(2-methylpropyl)-2-oxo-5-[3-(thiophene-2-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide
CID 93202319
3-[(4-fluorophenyl)methyl]-N-(2-methylpropyl)-2-oxo-5-[4-(thiophene-2-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide
CID 46020909
(4R,5R)-3-[(3-chlorophenyl)methyl]-N-(2-methylpropyl)-2-oxo-5-[3-(thiophene-2-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide
CID 93203030
(4R,5S)-N-(cyclopropylmethyl)-3-[(4-methylphenyl)methyl]-2-oxo-5-[3-(propanoylamino)phenyl]-1,3-oxazolidine-4-carboxamide
CID 93202485
(4S,5S)-5-[3-[(4-fluorobenzoyl)amino]phenyl]-N-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 98414746
(4R,5R)-N-(cyclopropylmethyl)-3-[(4-methylphenyl)methyl]-2-oxo-5-[3-[(2-phenylacetyl)amino]phenyl]-1,3-oxazolidine-4-carboxamide
CID 93202579
3-[(3-chlorophenyl)methyl]-2-oxo-N-propan-2-yl-5-[3-(thiophene-2-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide
CID 42841315
5-(3-acetamidophenyl)-N-cyclopropyl-3-[(4-fluorophenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 42840936
N-[3-[(4S,5S)-3-[(4-methylphenyl)methyl]-4-(morpholine-4-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]thiophene-2-carboxamide
CID 93202336
(4R,5S)-5-(3-benzamidophenyl)-3-[(4-fluorophenyl)methyl]-2-oxo-N-propyl-1,3-oxazolidine-4-carboxamide
CID 93201973

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-3-[(4-fluorophenyl)methyl]-2-oxo-5-[3-(thiophene-2-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-3-[(4-fluorophenyl)methyl]-2-oxo-5-[3-(thiophene-2-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide (CID 42840953) is N-(cyclopropylmethyl)-3-[(4-fluorophenyl)methyl]-2-oxo-5-[3-(thiophene-2-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-3-[(4-fluorophenyl)methyl]-2-oxo-5-[3-(thiophene-2-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-3-[(4-fluorophenyl)methyl]-2-oxo-5-[3-(thiophene-2-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide is O=C(Nc1cccc(C2OC(=O)N(Cc3ccc(F)cc3)C2C(=O)NCC2CC2)c1)c1cccs1.
What is the InChIKey of N-(cyclopropylmethyl)-3-[(4-fluorophenyl)methyl]-2-oxo-5-[3-(thiophene-2-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide?
The InChIKey is SPKYCKQMUYPBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN3O4S/c27-19-10-8-17(9-11-19)15-30-22(25(32)28-14-16-6-7-16)23(34-26(30)33)18-3-1-4-20(13-18)29-24(31)21-5-2-12-35-21/h1-5,8-13,16,22-23H,6-7,14-15H2,(H,28,32)(H,29,31).
What are the key properties of N-(cyclopropylmethyl)-3-[(4-fluorophenyl)methyl]-2-oxo-5-[3-(thiophene-2-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide?
N-(cyclopropylmethyl)-3-[(4-fluorophenyl)methyl]-2-oxo-5-[3-(thiophene-2-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide has a molecular weight of 493.56 g/mol, XLogP of 4.73, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-3-[(4-fluorophenyl)methyl]-2-oxo-5-[3-(thiophene-2-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 42840953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).