N-[[(5S)-3-[4-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C18H18FN5O3 — CID 10292608

IUPACN-[[(5S)-3-[4-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(N3Cc4cncnc4C3)c(F)c2)C(=O)O1
InChIInChI=1S/C18H18FN5O3/c1-11(25)21-6-14-8-24(18(26)27-14)13-2-3-17(15(19)4-13)23-7-12-5-20-10-22-16(12)9-23/h2-5,10,14H,6-9H2,1H3,(H,21,25)/t14-/m0/s1
InChIKeyIKBKSOFMTCFIKG-AWEZNQCLSA-N
MW371.37 g/mol
LogP1.60
Rot. Bonds4

About N-[[(5S)-3-[4-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[4-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 10292608) has the molecular formula C18H18FN5O3 and a molecular weight of 371.37 g/mol. Its IUPAC name is N-[[(5S)-3-[4-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[4-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID10292608
Molecular FormulaC18H18FN5O3
Molecular Weight371.37 g/mol
Exact Mass371.14
IUPAC NameN-[[(5S)-3-[4-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(N3Cc4cncnc4C3)c(F)c2)C(=O)O1
InChIInChI=1S/C18H18FN5O3/c1-11(25)21-6-14-8-24(18(26)27-14)13-2-3-17(15(19)4-13)23-7-12-5-20-10-22-16(12)9-23/h2-5,10,14H,6-9H2,1H3,(H,21,25)/t14-/m0/s1
InChIKeyIKBKSOFMTCFIKG-AWEZNQCLSA-N
XLogP1.60
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.37
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-[[(5S)-3-[4-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-3-fluorophenyl]-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

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[4-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[4-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 10292608) is N-[[(5S)-3-[4-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[4-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[4-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(N3Cc4cncnc4C3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[4-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is IKBKSOFMTCFIKG-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H18FN5O3/c1-11(25)21-6-14-8-24(18(26)27-14)13-2-3-17(15(19)4-13)23-7-12-5-20-10-22-16(12)9-23/h2-5,10,14H,6-9H2,1H3,(H,21,25)/t14-/m0/s1.
What are the key properties of N-[[(5S)-3-[4-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[4-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 371.37 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[4-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 10292608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).