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RKOZGYVTQZUTFW-LBPRGKRZSA-N

C15H19FN4O3 — CID 67273734

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[[(5S)-3-[4-(azetidin-3-ylamino)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(NC3CNC3)c(F)c2)C(=O)O1
InChIInChI=1S/C15H19FN4O3/c1-9(21)18-7-12-8-20(15(22)23-12)11-2-3-14(13(16)4-11)19-10-5-17-6-10/h2-4,10,12,17,19H,5-8H2,1H3,(H,18,21)/t12-/m0/s1
InChIKeyRKOZGYVTQZUTFW-LBPRGKRZSA-N
MW322.34 g/mol
LogP0.67
Rot. Bonds5

About RKOZGYVTQZUTFW-LBPRGKRZSA-N

RKOZGYVTQZUTFW-LBPRGKRZSA-N (PubChem CID 67273734) has the molecular formula C15H19FN4O3 and a molecular weight of 322.34 g/mol. Its IUPAC name is N-[[(5S)-3-[4-(azetidin-3-ylamino)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameRKOZGYVTQZUTFW-LBPRGKRZSA-N
PubChem CID67273734
Molecular FormulaC15H19FN4O3
Molecular Weight322.34 g/mol
Exact Mass322.14
IUPAC NameN-[[(5S)-3-[4-(azetidin-3-ylamino)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(NC3CNC3)c(F)c2)C(=O)O1
InChIInChI=1S/C15H19FN4O3/c1-9(21)18-7-12-8-20(15(22)23-12)11-2-3-14(13(16)4-11)19-10-5-17-6-10/h2-4,10,12,17,19H,5-8H2,1H3,(H,18,21)/t12-/m0/s1
InChIKeyRKOZGYVTQZUTFW-LBPRGKRZSA-N
XLogP0.67
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of RKOZGYVTQZUTFW-LBPRGKRZSA-N?
The IUPAC name of RKOZGYVTQZUTFW-LBPRGKRZSA-N (CID 67273734) is N-[[(5S)-3-[4-(azetidin-3-ylamino)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for RKOZGYVTQZUTFW-LBPRGKRZSA-N?
The canonical SMILES for RKOZGYVTQZUTFW-LBPRGKRZSA-N is CC(=O)NC[C@H]1CN(c2ccc(NC3CNC3)c(F)c2)C(=O)O1.
What is the InChIKey of RKOZGYVTQZUTFW-LBPRGKRZSA-N?
The InChIKey is RKOZGYVTQZUTFW-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H19FN4O3/c1-9(21)18-7-12-8-20(15(22)23-12)11-2-3-14(13(16)4-11)19-10-5-17-6-10/h2-4,10,12,17,19H,5-8H2,1H3,(H,18,21)/t12-/m0/s1.
What are the key properties of RKOZGYVTQZUTFW-LBPRGKRZSA-N?
RKOZGYVTQZUTFW-LBPRGKRZSA-N has a molecular weight of 322.34 g/mol, XLogP of 0.67, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for RKOZGYVTQZUTFW-LBPRGKRZSA-N is sourced from PubChem (CID 67273734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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