(5S)-5-(aminomethyl)-3-[4-[4-(2-chlorophenyl)piperazin-1-yl]phenyl]-1,3-oxazolidin-2-one

C20H23ClN4O2 — CID 142669210

IUPAC(5S)-5-(aminomethyl)-3-[4-[4-(2-chlorophenyl)piperazin-1-yl]phenyl]-1,3-oxazolidin-2-one
SMILESNC[C@H]1CN(c2ccc(N3CCN(c4ccccc4Cl)CC3)cc2)C(=O)O1
InChIInChI=1S/C20H23ClN4O2/c21-18-3-1-2-4-19(18)24-11-9-23(10-12-24)15-5-7-16(8-6-15)25-14-17(13-22)27-20(25)26/h1-8,17H,9-14,22H2/t17-/m0/s1
InChIKeyLOFSYVYJNJFCHY-KRWDZBQOSA-N
MW386.88 g/mol
LogP2.95
Rot. Bonds4

About (5S)-5-(aminomethyl)-3-[4-[4-(2-chlorophenyl)piperazin-1-yl]phenyl]-1,3-oxazolidin-2-one

(5S)-5-(aminomethyl)-3-[4-[4-(2-chlorophenyl)piperazin-1-yl]phenyl]-1,3-oxazolidin-2-one (PubChem CID 142669210) has the molecular formula C20H23ClN4O2 and a molecular weight of 386.88 g/mol. Its IUPAC name is (5S)-5-(aminomethyl)-3-[4-[4-(2-chlorophenyl)piperazin-1-yl]phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5S)-5-(aminomethyl)-3-[4-[4-(2-chlorophenyl)piperazin-1-yl]phenyl]-1,3-oxazolidin-2-one
PubChem CID142669210
Molecular FormulaC20H23ClN4O2
Molecular Weight386.88 g/mol
Exact Mass386.15
IUPAC Name(5S)-5-(aminomethyl)-3-[4-[4-(2-chlorophenyl)piperazin-1-yl]phenyl]-1,3-oxazolidin-2-one
SMILESNC[C@H]1CN(c2ccc(N3CCN(c4ccccc4Cl)CC3)cc2)C(=O)O1
InChIInChI=1S/C20H23ClN4O2/c21-18-3-1-2-4-19(18)24-11-9-23(10-12-24)15-5-7-16(8-6-15)25-14-17(13-22)27-20(25)26/h1-8,17H,9-14,22H2/t17-/m0/s1
InChIKeyLOFSYVYJNJFCHY-KRWDZBQOSA-N
XLogP2.95
TPSA62.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

(5R)-5-(aminomethyl)-3-(3,4-dichlorophenyl)-1,3-oxazolidin-2-one
CID 42281775
(5S)-5-(aminomethyl)-3-(4-hydroxyphenyl)-1,3-oxazolidin-2-one
CID 115056869
(5R)-5-(aminomethyl)-3-(4-ethynylphenyl)-1,3-oxazolidin-2-one
CID 129499040
5-(aminomethyl)-3-(2-bromophenyl)-1,3-oxazolidin-2-one
CID 82023132
5-(aminomethyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 71779050
5-(aminomethyl)-3-(3-fluoro-4-pyrrolidin-1-ylphenyl)-1,3-oxazolidin-2-one
CID 68676117
[(5S)-3-[4-[4-(2-methylphenyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylthiourea
CID 142669217
4-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]benzamide
CID 175803957
4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]benzenesulfonamide
CID 93181902
(5S)-5-(aminomethyl)-3-(3-chloro-4-isocyanophenyl)-1,3-oxazolidin-2-one
CID 59411206
5-(aminomethyl)-3-(4-methylsulfonylphenyl)-1,3-oxazolidin-2-one
CID 14011249
5-(2-aminoethyl)-3-phenyl-1,3-oxazolidin-2-one
CID 15117126

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(aminomethyl)-3-[4-[4-(2-chlorophenyl)piperazin-1-yl]phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-5-(aminomethyl)-3-[4-[4-(2-chlorophenyl)piperazin-1-yl]phenyl]-1,3-oxazolidin-2-one (CID 142669210) is (5S)-5-(aminomethyl)-3-[4-[4-(2-chlorophenyl)piperazin-1-yl]phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-5-(aminomethyl)-3-[4-[4-(2-chlorophenyl)piperazin-1-yl]phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-5-(aminomethyl)-3-[4-[4-(2-chlorophenyl)piperazin-1-yl]phenyl]-1,3-oxazolidin-2-one is NC[C@H]1CN(c2ccc(N3CCN(c4ccccc4Cl)CC3)cc2)C(=O)O1.
What is the InChIKey of (5S)-5-(aminomethyl)-3-[4-[4-(2-chlorophenyl)piperazin-1-yl]phenyl]-1,3-oxazolidin-2-one?
The InChIKey is LOFSYVYJNJFCHY-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H23ClN4O2/c21-18-3-1-2-4-19(18)24-11-9-23(10-12-24)15-5-7-16(8-6-15)25-14-17(13-22)27-20(25)26/h1-8,17H,9-14,22H2/t17-/m0/s1.
What are the key properties of (5S)-5-(aminomethyl)-3-[4-[4-(2-chlorophenyl)piperazin-1-yl]phenyl]-1,3-oxazolidin-2-one?
(5S)-5-(aminomethyl)-3-[4-[4-(2-chlorophenyl)piperazin-1-yl]phenyl]-1,3-oxazolidin-2-one has a molecular weight of 386.88 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(aminomethyl)-3-[4-[4-(2-chlorophenyl)piperazin-1-yl]phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 142669210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).