(4S)-3-[benzotriazol-2-yl(pyridin-2-yl)methyl]-4-benzyl-1,3-oxazolidin-2-one

C22H19N5O2 — CID 100935570

IUPAC(4S)-3-[benzotriazol-2-yl(pyridin-2-yl)methyl]-4-benzyl-1,3-oxazolidin-2-one
SMILESO=C1OC[C@H](Cc2ccccc2)N1C(c1ccccn1)n1nc2ccccc2n1
InChIInChI=1S/C22H19N5O2/c28-22-26(17(15-29-22)14-16-8-2-1-3-9-16)21(20-12-6-7-13-23-20)27-24-18-10-4-5-11-19(18)25-27/h1-13,17,21H,14-15H2/t17-,21?/m0/s1
InChIKeyMEIKPIAYOOGWKV-PBVYKCSPSA-N
MW385.43 g/mol
LogP3.44
Rot. Bonds5

About (4S)-3-[benzotriazol-2-yl(pyridin-2-yl)methyl]-4-benzyl-1,3-oxazolidin-2-one

(4S)-3-[benzotriazol-2-yl(pyridin-2-yl)methyl]-4-benzyl-1,3-oxazolidin-2-one (PubChem CID 100935570) has the molecular formula C22H19N5O2 and a molecular weight of 385.43 g/mol. Its IUPAC name is (4S)-3-[benzotriazol-2-yl(pyridin-2-yl)methyl]-4-benzyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[benzotriazol-2-yl(pyridin-2-yl)methyl]-4-benzyl-1,3-oxazolidin-2-one
PubChem CID100935570
Molecular FormulaC22H19N5O2
Molecular Weight385.43 g/mol
Exact Mass385.15
IUPAC Name(4S)-3-[benzotriazol-2-yl(pyridin-2-yl)methyl]-4-benzyl-1,3-oxazolidin-2-one
SMILESO=C1OC[C@H](Cc2ccccc2)N1C(c1ccccn1)n1nc2ccccc2n1
InChIInChI=1S/C22H19N5O2/c28-22-26(17(15-29-22)14-16-8-2-1-3-9-16)21(20-12-6-7-13-23-20)27-24-18-10-4-5-11-19(18)25-27/h1-13,17,21H,14-15H2/t17-,21?/m0/s1
InChIKeyMEIKPIAYOOGWKV-PBVYKCSPSA-N
XLogP3.44
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4R)-4-benzyl-3-(1-sulfanylethyl)-1,3-oxazolidin-2-one
CID 170024134
(4S)-4-benzyl-3-[(1S)-1-sulfanylethyl]-1,3-oxazolidin-2-one
CID 139924962
4-benzyl-3-(1-phenylethyl)-1,3-oxazolidin-2-one
CID 68997353
(4S)-4-benzyl-3-[(1S)-2-(4-hydroxyphenyl)-1-phenoxyethyl]-1,3-oxazolidin-2-one
CID 54118311
4-benzyl-3-[(1S)-2-(4-hydroxyphenyl)-1-phenoxyethyl]-1,3-oxazolidin-2-one
CID 67697022
(4R)-4-benzyl-3-methyl-1,3-oxazolidin-2-one
CID 14836208
2-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)acetic acid
CID 82372064
(4S)-3-acetyl-4-benzyl-1,3-oxazolidin-2-one
CID 735929
(4S)-4-benzyl-3-prop-2-ynoyl-1,3-oxazolidin-2-one
CID 135041190
(4R)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbaldehyde
CID 10774601
4-benzyl-3-(2-phenylacetyl)-1,3-oxazolidin-2-one
CID 15597771
(4R)-4-benzyl-3-[(E)-1-hydroxyprop-1-enyl]-1,3-oxazolidin-2-one
CID 100990536

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[benzotriazol-2-yl(pyridin-2-yl)methyl]-4-benzyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[benzotriazol-2-yl(pyridin-2-yl)methyl]-4-benzyl-1,3-oxazolidin-2-one (CID 100935570) is (4S)-3-[benzotriazol-2-yl(pyridin-2-yl)methyl]-4-benzyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[benzotriazol-2-yl(pyridin-2-yl)methyl]-4-benzyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[benzotriazol-2-yl(pyridin-2-yl)methyl]-4-benzyl-1,3-oxazolidin-2-one is O=C1OC[C@H](Cc2ccccc2)N1C(c1ccccn1)n1nc2ccccc2n1.
What is the InChIKey of (4S)-3-[benzotriazol-2-yl(pyridin-2-yl)methyl]-4-benzyl-1,3-oxazolidin-2-one?
The InChIKey is MEIKPIAYOOGWKV-PBVYKCSPSA-N. The full InChI is InChI=1S/C22H19N5O2/c28-22-26(17(15-29-22)14-16-8-2-1-3-9-16)21(20-12-6-7-13-23-20)27-24-18-10-4-5-11-19(18)25-27/h1-13,17,21H,14-15H2/t17-,21?/m0/s1.
What are the key properties of (4S)-3-[benzotriazol-2-yl(pyridin-2-yl)methyl]-4-benzyl-1,3-oxazolidin-2-one?
(4S)-3-[benzotriazol-2-yl(pyridin-2-yl)methyl]-4-benzyl-1,3-oxazolidin-2-one has a molecular weight of 385.43 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[benzotriazol-2-yl(pyridin-2-yl)methyl]-4-benzyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 100935570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).