N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]-3,3-diphenylpropanamide

C27H24N2O3 — CID 90551360

IUPACN-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]-3,3-diphenylpropanamide
SMILESO=C(CC(c1ccccc1)c1ccccc1)NCC#Cc1ccc(N2CCOC2=O)cc1
InChIInChI=1S/C27H24N2O3/c30-26(20-25(22-9-3-1-4-10-22)23-11-5-2-6-12-23)28-17-7-8-21-13-15-24(16-14-21)29-18-19-32-27(29)31/h1-6,9-16,25H,17-20H2,(H,28,30)
InChIKeyMENBBXXKTNUGMK-UHFFFAOYSA-N
MW424.50 g/mol
LogP4.33
Rot. Bonds6

About N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]-3,3-diphenylpropanamide

N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]-3,3-diphenylpropanamide (PubChem CID 90551360) has the molecular formula C27H24N2O3 and a molecular weight of 424.50 g/mol. Its IUPAC name is N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]-3,3-diphenylpropanamide.

Molecular Properties

Compound NameN-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]-3,3-diphenylpropanamide
PubChem CID90551360
Molecular FormulaC27H24N2O3
Molecular Weight424.50 g/mol
Exact Mass424.18
IUPAC NameN-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]-3,3-diphenylpropanamide
SMILESO=C(CC(c1ccccc1)c1ccccc1)NCC#Cc1ccc(N2CCOC2=O)cc1
InChIInChI=1S/C27H24N2O3/c30-26(20-25(22-9-3-1-4-10-22)23-11-5-2-6-12-23)28-17-7-8-21-13-15-24(16-14-21)29-18-19-32-27(29)31/h1-6,9-16,25H,17-20H2,(H,28,30)
InChIKeyMENBBXXKTNUGMK-UHFFFAOYSA-N
XLogP4.33
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-benzhydryl-3-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]urea
CID 90554079
N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]propanamide
CID 90551244
1-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]-3-phenylurea
CID 90554045
2-(benzimidazol-1-yl)-N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]acetamide
CID 90551196
2,6-difluoro-N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]benzamide
CID 90551302
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]acetamide
CID 90551449
3-bromo-N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]benzamide
CID 90551299
1-(2-ethoxyphenyl)-3-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]urea
CID 90554067
5-bromo-N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]furan-2-carboxamide
CID 90551368
2-methyl-N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 90551414
N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]-1,3-benzodioxole-5-carboxamide
CID 90551288
1-(2,3-dimethoxyphenyl)-3-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]urea
CID 90554066

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]-3,3-diphenylpropanamide?
The IUPAC name of N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]-3,3-diphenylpropanamide (CID 90551360) is N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]-3,3-diphenylpropanamide.
What is the SMILES notation for N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]-3,3-diphenylpropanamide?
The canonical SMILES for N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]-3,3-diphenylpropanamide is O=C(CC(c1ccccc1)c1ccccc1)NCC#Cc1ccc(N2CCOC2=O)cc1.
What is the InChIKey of N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]-3,3-diphenylpropanamide?
The InChIKey is MENBBXXKTNUGMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O3/c30-26(20-25(22-9-3-1-4-10-22)23-11-5-2-6-12-23)28-17-7-8-21-13-15-24(16-14-21)29-18-19-32-27(29)31/h1-6,9-16,25H,17-20H2,(H,28,30).
What are the key properties of N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]-3,3-diphenylpropanamide?
N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]-3,3-diphenylpropanamide has a molecular weight of 424.50 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]-3,3-diphenylpropanamide is sourced from PubChem (CID 90551360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).