N-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-1-(2-phenylethyl)pyrrole-2-carboxamide

C23H23N3O3 — CID 86876348

IUPACN-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-1-(2-phenylethyl)pyrrole-2-carboxamide
SMILESO=C(Nc1ccc(CN2CCOC2=O)cc1)c1cccn1CCc1ccccc1
InChIInChI=1S/C23H23N3O3/c27-22(21-7-4-13-25(21)14-12-18-5-2-1-3-6-18)24-20-10-8-19(9-11-20)17-26-15-16-29-23(26)28/h1-11,13H,12,14-17H2,(H,24,27)
InChIKeySVIUROKXRLFRGV-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.94
Rot. Bonds7

About N-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-1-(2-phenylethyl)pyrrole-2-carboxamide

N-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-1-(2-phenylethyl)pyrrole-2-carboxamide (PubChem CID 86876348) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-1-(2-phenylethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-1-(2-phenylethyl)pyrrole-2-carboxamide
PubChem CID86876348
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC NameN-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-1-(2-phenylethyl)pyrrole-2-carboxamide
SMILESO=C(Nc1ccc(CN2CCOC2=O)cc1)c1cccn1CCc1ccccc1
InChIInChI=1S/C23H23N3O3/c27-22(21-7-4-13-25(21)14-12-18-5-2-1-3-6-18)24-20-10-8-19(9-11-20)17-26-15-16-29-23(26)28/h1-11,13H,12,14-17H2,(H,24,27)
InChIKeySVIUROKXRLFRGV-UHFFFAOYSA-N
XLogP3.94
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-morpholin-4-ylphenyl)-1-(2-phenylethyl)pyrrole-2-carboxamide
CID 155945474
N-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-1-phenyltriazole-4-carboxamide
CID 87028248
1-methyl-N-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]indole-4-carboxamide
CID 71880143
N-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 86821073
N-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-3-(2H-triazol-4-yl)propanamide
CID 126839263
1-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-3-(1-phenylpiperidin-4-yl)urea
CID 86830752
1-(2,4-dichlorophenyl)-3-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]urea
CID 78895981
3-naphthalen-1-yl-N-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]prop-2-enamide
CID 71890191
N-(3-acetamidophenyl)-1-benzylpyrrole-2-carboxamide
CID 134022751
5-hydroxy-N-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-2-propylpentanamide
CID 126839318
1-benzyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrrole-2-carboxamide
CID 134028017
1-benzyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]pyrrole-2-carboxamide
CID 56557962

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-1-(2-phenylethyl)pyrrole-2-carboxamide?
The IUPAC name of N-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-1-(2-phenylethyl)pyrrole-2-carboxamide (CID 86876348) is N-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-1-(2-phenylethyl)pyrrole-2-carboxamide.
What is the SMILES notation for N-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-1-(2-phenylethyl)pyrrole-2-carboxamide?
The canonical SMILES for N-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-1-(2-phenylethyl)pyrrole-2-carboxamide is O=C(Nc1ccc(CN2CCOC2=O)cc1)c1cccn1CCc1ccccc1.
What is the InChIKey of N-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-1-(2-phenylethyl)pyrrole-2-carboxamide?
The InChIKey is SVIUROKXRLFRGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c27-22(21-7-4-13-25(21)14-12-18-5-2-1-3-6-18)24-20-10-8-19(9-11-20)17-26-15-16-29-23(26)28/h1-11,13H,12,14-17H2,(H,24,27).
What are the key properties of N-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-1-(2-phenylethyl)pyrrole-2-carboxamide?
N-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-1-(2-phenylethyl)pyrrole-2-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-1-(2-phenylethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 86876348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).