1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]pyrazole-4-carboxamide

C16H16FN5O4 — CID 10761041

IUPAC1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]pyrazole-4-carboxamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(-n3cc(C(N)=O)cn3)c(F)c2)C(=O)O1
InChIInChI=1S/C16H16FN5O4/c1-9(23)19-6-12-8-21(16(25)26-12)11-2-3-14(13(17)4-11)22-7-10(5-20-22)15(18)24/h2-5,7,12H,6,8H2,1H3,(H2,18,24)(H,19,23)/t12-/m0/s1
InChIKeyHCSVWPGFXWBXMX-LBPRGKRZSA-N
MW361.33 g/mol
LogP0.57
Rot. Bonds5

About 1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]pyrazole-4-carboxamide

1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]pyrazole-4-carboxamide (PubChem CID 10761041) has the molecular formula C16H16FN5O4 and a molecular weight of 361.33 g/mol. Its IUPAC name is 1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]pyrazole-4-carboxamide
PubChem CID10761041
Molecular FormulaC16H16FN5O4
Molecular Weight361.33 g/mol
Exact Mass361.12
IUPAC Name1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]pyrazole-4-carboxamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(-n3cc(C(N)=O)cn3)c(F)c2)C(=O)O1
InChIInChI=1S/C16H16FN5O4/c1-9(23)19-6-12-8-21(16(25)26-12)11-2-3-14(13(17)4-11)22-7-10(5-20-22)15(18)24/h2-5,7,12H,6,8H2,1H3,(H2,18,24)(H,19,23)/t12-/m0/s1
InChIKeyHCSVWPGFXWBXMX-LBPRGKRZSA-N
XLogP0.57
TPSA119.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.33
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]pyrazole-4-carboxamide?
The IUPAC name of 1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]pyrazole-4-carboxamide (CID 10761041) is 1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]pyrazole-4-carboxamide is CC(=O)NC[C@H]1CN(c2ccc(-n3cc(C(N)=O)cn3)c(F)c2)C(=O)O1.
What is the InChIKey of 1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]pyrazole-4-carboxamide?
The InChIKey is HCSVWPGFXWBXMX-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H16FN5O4/c1-9(23)19-6-12-8-21(16(25)26-12)11-2-3-14(13(17)4-11)22-7-10(5-20-22)15(18)24/h2-5,7,12H,6,8H2,1H3,(H2,18,24)(H,19,23)/t12-/m0/s1.
What are the key properties of 1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]pyrazole-4-carboxamide?
1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]pyrazole-4-carboxamide has a molecular weight of 361.33 g/mol, XLogP of 0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 10761041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).