2-cyclopropylpropanenitrile;N-[[3-[(2E,4E)-5-fluoro-6-(3-hydroxypentylamino)hexa-2,4-dien-3-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C23H37FN4O4 — CID 143058354

IUPAC2-cyclopropylpropanenitrile;N-[[3-[(2E,4E)-5-fluoro-6-(3-hydroxypentylamino)hexa-2,4-dien-3-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESC/C=C(\C=C(\F)CNCCC(O)CC)N1CC(CNC(C)=O)OC1=O.CC(C#N)C1CC1
InChIInChI=1S/C17H28FN3O4.C6H9N/c1-4-14(8-13(18)9-19-7-6-15(23)5-2)21-11-16(25-17(21)24)10-20-12(3)22;1-5(4-7)6-2-3-6/h4,8,15-16,19,23H,5-7,9-11H2,1-3H3,(H,20,22);5-6H,2-3H2,1H3/b13-8+,14-4+;
InChIKeyPZUXGKLKGNCUHI-IWJLIZMKSA-N
MW452.57 g/mol
LogP3.01
Rot. Bonds11

About 2-cyclopropylpropanenitrile;N-[[3-[(2E,4E)-5-fluoro-6-(3-hydroxypentylamino)hexa-2,4-dien-3-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

2-cyclopropylpropanenitrile;N-[[3-[(2E,4E)-5-fluoro-6-(3-hydroxypentylamino)hexa-2,4-dien-3-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 143058354) has the molecular formula C23H37FN4O4 and a molecular weight of 452.57 g/mol. Its IUPAC name is 2-cyclopropylpropanenitrile;N-[[3-[(2E,4E)-5-fluoro-6-(3-hydroxypentylamino)hexa-2,4-dien-3-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound Name2-cyclopropylpropanenitrile;N-[[3-[(2E,4E)-5-fluoro-6-(3-hydroxypentylamino)hexa-2,4-dien-3-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID143058354
Molecular FormulaC23H37FN4O4
Molecular Weight452.57 g/mol
Exact Mass452.28
IUPAC Name2-cyclopropylpropanenitrile;N-[[3-[(2E,4E)-5-fluoro-6-(3-hydroxypentylamino)hexa-2,4-dien-3-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESC/C=C(\C=C(\F)CNCCC(O)CC)N1CC(CNC(C)=O)OC1=O.CC(C#N)C1CC1
InChIInChI=1S/C17H28FN3O4.C6H9N/c1-4-14(8-13(18)9-19-7-6-15(23)5-2)21-11-16(25-17(21)24)10-20-12(3)22;1-5(4-7)6-2-3-6/h4,8,15-16,19,23H,5-7,9-11H2,1-3H3,(H,20,22);5-6H,2-3H2,1H3/b13-8+,14-4+;
InChIKeyPZUXGKLKGNCUHI-IWJLIZMKSA-N
XLogP3.01
TPSA114.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.57
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-cyclopropylpropanenitrile;N-[[3-[(2E,4E)-5-fluoro-6-(3-hydroxypentylamino)hexa-2,4-dien-3-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide 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

O-methyl N-[[3-(5-methylhepta-2,4,6-trien-3-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamothioate
CID 90989375
N-[[3-[4-[4-(2-cyano-2-hydroxyethyl)piperidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 87954086
N-[[3-[(E)-5-fluoropent-4-en-2-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 142270624
1-ethyltriazole;N-[[3-[(3E,5Z,8Z,10E)-5-fluoro-6,7-dimethyl-10-(methylaminomethyl)trideca-1,3,5,8,10,12-hexaen-3-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 143006920
N-[[(5S)-3-[4-[4-[cyano(cyclopropyl)methyl]-4-hydroxypiperidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 11339414
N-[[(5R)-3-[4-(1-hydroxyethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 151762391
N-[[(5S)-3-[(2E,4Z)-4-fluoro-5-[4-[(3-fluoropropylamino)methyl]phenyl]hepta-2,4,6-trien-2-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 88889242
N-[[3-[4-(1-hydroxyprop-2-ynyl)-3,5-dimethylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 18713384
N-[[(5S)-3-[4-[(1S,5R)-6-cyano-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 11772613
N-[[(5S)-3-[3-fluoro-4-[4-[isocyano(thiophen-2-yl)methyl]piperidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 59754022
N-[[2-oxo-3-[4-(3-oxoprop-1-enyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide
CID 54536616
N-[[3-[4-(2-hydroxyethylsulfanyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 14011393

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropylpropanenitrile;N-[[3-[(2E,4E)-5-fluoro-6-(3-hydroxypentylamino)hexa-2,4-dien-3-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of 2-cyclopropylpropanenitrile;N-[[3-[(2E,4E)-5-fluoro-6-(3-hydroxypentylamino)hexa-2,4-dien-3-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 143058354) is 2-cyclopropylpropanenitrile;N-[[3-[(2E,4E)-5-fluoro-6-(3-hydroxypentylamino)hexa-2,4-dien-3-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for 2-cyclopropylpropanenitrile;N-[[3-[(2E,4E)-5-fluoro-6-(3-hydroxypentylamino)hexa-2,4-dien-3-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for 2-cyclopropylpropanenitrile;N-[[3-[(2E,4E)-5-fluoro-6-(3-hydroxypentylamino)hexa-2,4-dien-3-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is C/C=C(\C=C(\F)CNCCC(O)CC)N1CC(CNC(C)=O)OC1=O.CC(C#N)C1CC1.
What is the InChIKey of 2-cyclopropylpropanenitrile;N-[[3-[(2E,4E)-5-fluoro-6-(3-hydroxypentylamino)hexa-2,4-dien-3-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is PZUXGKLKGNCUHI-IWJLIZMKSA-N. The full InChI is InChI=1S/C17H28FN3O4.C6H9N/c1-4-14(8-13(18)9-19-7-6-15(23)5-2)21-11-16(25-17(21)24)10-20-12(3)22;1-5(4-7)6-2-3-6/h4,8,15-16,19,23H,5-7,9-11H2,1-3H3,(H,20,22);5-6H,2-3H2,1H3/b13-8+,14-4+;.
What are the key properties of 2-cyclopropylpropanenitrile;N-[[3-[(2E,4E)-5-fluoro-6-(3-hydroxypentylamino)hexa-2,4-dien-3-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
2-cyclopropylpropanenitrile;N-[[3-[(2E,4E)-5-fluoro-6-(3-hydroxypentylamino)hexa-2,4-dien-3-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 452.57 g/mol, XLogP of 3.01, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropylpropanenitrile;N-[[3-[(2E,4E)-5-fluoro-6-(3-hydroxypentylamino)hexa-2,4-dien-3-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 143058354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).