(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-5-(1,2,4-triazol-1-ylmethyl)-1,3-oxazolidin-2-one

C19H16FN9O2 — CID 11200980

IUPAC(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-5-(1,2,4-triazol-1-ylmethyl)-1,3-oxazolidin-2-one
SMILESCn1nnc(-c2ccc(-c3ccc(N4C[C@H](Cn5cncn5)OC4=O)cc3F)cn2)n1
InChIInChI=1S/C19H16FN9O2/c1-27-25-18(24-26-27)17-5-2-12(7-22-17)15-4-3-13(6-16(15)20)29-9-14(31-19(29)30)8-28-11-21-10-23-28/h2-7,10-11,14H,8-9H2,1H3/t14-/m0/s1
InChIKeyQPCFSBWKKQHCPW-AWEZNQCLSA-N
MW421.40 g/mol
LogP1.70
Rot. Bonds5

About (5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-5-(1,2,4-triazol-1-ylmethyl)-1,3-oxazolidin-2-one

(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-5-(1,2,4-triazol-1-ylmethyl)-1,3-oxazolidin-2-one (PubChem CID 11200980) has the molecular formula C19H16FN9O2 and a molecular weight of 421.40 g/mol. Its IUPAC name is (5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-5-(1,2,4-triazol-1-ylmethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-5-(1,2,4-triazol-1-ylmethyl)-1,3-oxazolidin-2-one
PubChem CID11200980
Molecular FormulaC19H16FN9O2
Molecular Weight421.40 g/mol
Exact Mass421.14
IUPAC Name(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-5-(1,2,4-triazol-1-ylmethyl)-1,3-oxazolidin-2-one
SMILESCn1nnc(-c2ccc(-c3ccc(N4C[C@H](Cn5cncn5)OC4=O)cc3F)cn2)n1
InChIInChI=1S/C19H16FN9O2/c1-27-25-18(24-26-27)17-5-2-12(7-22-17)15-4-3-13(6-16(15)20)29-9-14(31-19(29)30)8-28-11-21-10-23-28/h2-7,10-11,14H,8-9H2,1H3/t14-/m0/s1
InChIKeyQPCFSBWKKQHCPW-AWEZNQCLSA-N
XLogP1.70
TPSA116.74 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.40
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-5-(1,2,4-triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-5-(1,2,4-triazol-1-ylmethyl)-1,3-oxazolidin-2-one (CID 11200980) is (5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-5-(1,2,4-triazol-1-ylmethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-5-(1,2,4-triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-5-(1,2,4-triazol-1-ylmethyl)-1,3-oxazolidin-2-one is Cn1nnc(-c2ccc(-c3ccc(N4C[C@H](Cn5cncn5)OC4=O)cc3F)cn2)n1.
What is the InChIKey of (5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-5-(1,2,4-triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The InChIKey is QPCFSBWKKQHCPW-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H16FN9O2/c1-27-25-18(24-26-27)17-5-2-12(7-22-17)15-4-3-13(6-16(15)20)29-9-14(31-19(29)30)8-28-11-21-10-23-28/h2-7,10-11,14H,8-9H2,1H3/t14-/m0/s1.
What are the key properties of (5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-5-(1,2,4-triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-5-(1,2,4-triazol-1-ylmethyl)-1,3-oxazolidin-2-one has a molecular weight of 421.40 g/mol, XLogP of 1.70, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-5-(1,2,4-triazol-1-ylmethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 11200980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).