3-[3-fluoro-4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-5-(imidazol-1-ylmethyl)-1,3-oxazolidin-2-one

C16H14FN5O3 — CID 71740834

IUPAC3-[3-fluoro-4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-5-(imidazol-1-ylmethyl)-1,3-oxazolidin-2-one
SMILESCc1noc(-c2ccc(N3CC(Cn4ccnc4)OC3=O)cc2F)n1
InChIInChI=1S/C16H14FN5O3/c1-10-19-15(25-20-10)13-3-2-11(6-14(13)17)22-8-12(24-16(22)23)7-21-5-4-18-9-21/h2-6,9,12H,7-8H2,1H3
InChIKeyRNIVVIRHMUXWBG-UHFFFAOYSA-N
MW343.32 g/mol
LogP2.41
Rot. Bonds4

About 3-[3-fluoro-4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-5-(imidazol-1-ylmethyl)-1,3-oxazolidin-2-one

3-[3-fluoro-4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-5-(imidazol-1-ylmethyl)-1,3-oxazolidin-2-one (PubChem CID 71740834) has the molecular formula C16H14FN5O3 and a molecular weight of 343.32 g/mol. Its IUPAC name is 3-[3-fluoro-4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-5-(imidazol-1-ylmethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[3-fluoro-4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-5-(imidazol-1-ylmethyl)-1,3-oxazolidin-2-one
PubChem CID71740834
Molecular FormulaC16H14FN5O3
Molecular Weight343.32 g/mol
Exact Mass343.11
IUPAC Name3-[3-fluoro-4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-5-(imidazol-1-ylmethyl)-1,3-oxazolidin-2-one
SMILESCc1noc(-c2ccc(N3CC(Cn4ccnc4)OC3=O)cc2F)n1
InChIInChI=1S/C16H14FN5O3/c1-10-19-15(25-20-10)13-3-2-11(6-14(13)17)22-8-12(24-16(22)23)7-21-5-4-18-9-21/h2-6,9,12H,7-8H2,1H3
InChIKeyRNIVVIRHMUXWBG-UHFFFAOYSA-N
XLogP2.41
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.32
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[3-fluoro-4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-5-(imidazol-1-ylmethyl)-1,3-oxazolidin-2-one with MolForge

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Related Compounds

N-[[(5S)-3-[3-fluoro-4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide
CID 71740964
(5S)-5-(imidazol-1-ylmethyl)-3-(4-methylsulfanylphenyl)-1,3-oxazolidin-2-one
CID 69364312
(5R)-3-[3-fluoro-4-[4-(imidazol-1-ylmethyl)phenyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 11690245
5-(aminomethyl)-3-[3-fluoro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,3-oxazolidin-2-one
CID 142879229
1-[4-[5-(imidazol-1-ylmethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]cyclopropane-1-carbonitrile
CID 23441529
(5R)-3-[3-fluoro-4-[2-fluoro-4-[(5R)-5-(methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one
CID 10411371
5-(aminomethyl)-3-(3-fluoro-4-imidazol-1-ylphenyl)-1,3-oxazolidin-2-one
CID 85281072
[3-[3,5-difluoro-4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylthiourea
CID 86297901
N-[[(5S)-3-[3-fluoro-4-(4-methylsulfanylphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]imidazole-1-carboxamide
CID 129071224
ethane;N-[[3-[3-fluoro-4-(4-methylsulfanylphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]imidazole-1-carboxamide
CID 145297554
N-[[(5S)-3-[3-fluoro-4-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 11756137
(5S)-5-(aminomethyl)-3-(3-fluoro-4-pyridin-3-ylphenyl)-1,3-oxazolidin-2-one
CID 129071185

Frequently Asked Questions

What is the IUPAC name of 3-[3-fluoro-4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-5-(imidazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-[3-fluoro-4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-5-(imidazol-1-ylmethyl)-1,3-oxazolidin-2-one (CID 71740834) is 3-[3-fluoro-4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-5-(imidazol-1-ylmethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[3-fluoro-4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-5-(imidazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[3-fluoro-4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-5-(imidazol-1-ylmethyl)-1,3-oxazolidin-2-one is Cc1noc(-c2ccc(N3CC(Cn4ccnc4)OC3=O)cc2F)n1.
What is the InChIKey of 3-[3-fluoro-4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-5-(imidazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The InChIKey is RNIVVIRHMUXWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN5O3/c1-10-19-15(25-20-10)13-3-2-11(6-14(13)17)22-8-12(24-16(22)23)7-21-5-4-18-9-21/h2-6,9,12H,7-8H2,1H3.
What are the key properties of 3-[3-fluoro-4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-5-(imidazol-1-ylmethyl)-1,3-oxazolidin-2-one?
3-[3-fluoro-4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-5-(imidazol-1-ylmethyl)-1,3-oxazolidin-2-one has a molecular weight of 343.32 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-fluoro-4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-5-(imidazol-1-ylmethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 71740834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).