N-[[(5S)-3-[4-[4-[(R)-amino-(2-methyltetrazol-5-yl)methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C21H22FN7O3 — CID 67016495

IUPACN-[[(5S)-3-[4-[4-[(R)-amino-(2-methyltetrazol-5-yl)methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(-c3ccc([C@@H](N)c4nnn(C)n4)cc3)c(F)c2)C(=O)O1
InChIInChI=1S/C21H22FN7O3/c1-12(30)24-10-16-11-29(21(31)32-16)15-7-8-17(18(22)9-15)13-3-5-14(6-4-13)19(23)20-25-27-28(2)26-20/h3-9,16,19H,10-11,23H2,1-2H3,(H,24,30)/t16-,19+/m0/s1
InChIKeyFUFRVXPPHKFQSQ-QFBILLFUSA-N
MW439.45 g/mol
LogP1.53
Rot. Bonds6

About N-[[(5S)-3-[4-[4-[(R)-amino-(2-methyltetrazol-5-yl)methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[4-[4-[(R)-amino-(2-methyltetrazol-5-yl)methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 67016495) has the molecular formula C21H22FN7O3 and a molecular weight of 439.45 g/mol. Its IUPAC name is N-[[(5S)-3-[4-[4-[(R)-amino-(2-methyltetrazol-5-yl)methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[4-[4-[(R)-amino-(2-methyltetrazol-5-yl)methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID67016495
Molecular FormulaC21H22FN7O3
Molecular Weight439.45 g/mol
Exact Mass439.18
IUPAC NameN-[[(5S)-3-[4-[4-[(R)-amino-(2-methyltetrazol-5-yl)methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(-c3ccc([C@@H](N)c4nnn(C)n4)cc3)c(F)c2)C(=O)O1
InChIInChI=1S/C21H22FN7O3/c1-12(30)24-10-16-11-29(21(31)32-16)15-7-8-17(18(22)9-15)13-3-5-14(6-4-13)19(23)20-25-27-28(2)26-20/h3-9,16,19H,10-11,23H2,1-2H3,(H,24,30)/t16-,19+/m0/s1
InChIKeyFUFRVXPPHKFQSQ-QFBILLFUSA-N
XLogP1.53
TPSA128.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.45
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

benzyl N-[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]-(2-methyltetrazol-5-yl)methyl]carbamate
CID 46916609
N-[[3-(3-fluoro-4-pyridin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10381901
ethanamine;N-[[3-[3-fluoro-4-[4-(1-formamidoethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 142997006
strontium;N-[[(5S)-3-[3-fluoro-4-(4-methanidylphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;hydride
CID 173478166
N-[[(5S)-3-[4-[4-[(5-aminotetrazol-1-yl)methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 11604263
N-[[3-[3-fluoro-4-[4-[(5-methyltetrazol-2-yl)methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 22274143
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CID 23404032
N-[[(5S)-3-[4-[4-[1-(azetidin-1-yl)-2-hydroxyethyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 11640497
N-[[3-[4-(4-carbamimidoylphenyl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 69098860
N-[[3-[3-fluoro-4-[4-[(1-methyltetrazol-5-yl)sulfanylmethyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 22274218
(2R)-N-[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methyl]-2-aminobutanamide
CID 11189943
N-[[(5S)-3-[4-[4-[(6-aminopurin-9-yl)methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 23404076

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[4-[4-[(R)-amino-(2-methyltetrazol-5-yl)methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[4-[4-[(R)-amino-(2-methyltetrazol-5-yl)methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 67016495) is N-[[(5S)-3-[4-[4-[(R)-amino-(2-methyltetrazol-5-yl)methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[4-[4-[(R)-amino-(2-methyltetrazol-5-yl)methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[4-[4-[(R)-amino-(2-methyltetrazol-5-yl)methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(-c3ccc([C@@H](N)c4nnn(C)n4)cc3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[4-[4-[(R)-amino-(2-methyltetrazol-5-yl)methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is FUFRVXPPHKFQSQ-QFBILLFUSA-N. The full InChI is InChI=1S/C21H22FN7O3/c1-12(30)24-10-16-11-29(21(31)32-16)15-7-8-17(18(22)9-15)13-3-5-14(6-4-13)19(23)20-25-27-28(2)26-20/h3-9,16,19H,10-11,23H2,1-2H3,(H,24,30)/t16-,19+/m0/s1.
What are the key properties of N-[[(5S)-3-[4-[4-[(R)-amino-(2-methyltetrazol-5-yl)methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[4-[4-[(R)-amino-(2-methyltetrazol-5-yl)methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 439.45 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[4-[4-[(R)-amino-(2-methyltetrazol-5-yl)methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 67016495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).