4-[4-[5-[[(5-chlorothiophen-2-yl)methylideneamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one

C19H18ClN3O4S — CID 78155057

IUPAC4-[4-[5-[[(5-chlorothiophen-2-yl)methylideneamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one
SMILESO=C1COCCN1c1ccc(N2CC(C/N=C/c3ccc(Cl)s3)OC2=O)cc1
InChIInChI=1S/C19H18ClN3O4S/c20-17-6-5-16(28-17)10-21-9-15-11-23(19(25)27-15)14-3-1-13(2-4-14)22-7-8-26-12-18(22)24/h1-6,10,15H,7-9,11-12H2/b21-10+
InChIKeySCJMJRBLCVZTRN-UFFVCSGVSA-N
MW419.89 g/mol
LogP3.21
Rot. Bonds5

About 4-[4-[5-[[(5-chlorothiophen-2-yl)methylideneamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one

4-[4-[5-[[(5-chlorothiophen-2-yl)methylideneamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one (PubChem CID 78155057) has the molecular formula C19H18ClN3O4S and a molecular weight of 419.89 g/mol. Its IUPAC name is 4-[4-[5-[[(5-chlorothiophen-2-yl)methylideneamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one.

Molecular Properties

Compound Name4-[4-[5-[[(5-chlorothiophen-2-yl)methylideneamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one
PubChem CID78155057
Molecular FormulaC19H18ClN3O4S
Molecular Weight419.89 g/mol
Exact Mass419.07
IUPAC Name4-[4-[5-[[(5-chlorothiophen-2-yl)methylideneamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one
SMILESO=C1COCCN1c1ccc(N2CC(C/N=C/c3ccc(Cl)s3)OC2=O)cc1
InChIInChI=1S/C19H18ClN3O4S/c20-17-6-5-16(28-17)10-21-9-15-11-23(19(25)27-15)14-3-1-13(2-4-14)22-7-8-26-12-18(22)24/h1-6,10,15H,7-9,11-12H2/b21-10+
InChIKeySCJMJRBLCVZTRN-UFFVCSGVSA-N
XLogP3.21
TPSA71.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.89
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-[4-[5-(bromomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one
CID 72946753
4-[4-[(5R)-5-(bromomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one
CID 89158708
3,5-dichloro-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 155905787
4-[4-[5-[(hydroxymethylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one
CID 122625984
4-[4-[(5S)-2-oxo-5-(3-phenylpropyl)-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one
CID 158701330
4-[4-[5-[(benzylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one
CID 71272776
4-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one;(E)-but-2-enedioic acid
CID 71548890
N-(4-aminobutanoyl)-5-chloro-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide;hydrochloride
CID 66674203
4-[4-[(5S)-2-oxo-5-[(2,4,4-trimethylpentan-2-ylamino)methyl]-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one
CID 67314038
[2-[(5-chlorothiophene-2-carbonyl)-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]amino]-2-oxoethyl] (2S)-2-amino-3-methylbutanoate
CID 24771464
N-[2-(2-aminoethoxy)acetyl]-5-chloro-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 16722207
N-(6-aminohexanoyl)-5-chloro-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide;hydrochloride
CID 66674080

Frequently Asked Questions

What is the IUPAC name of 4-[4-[5-[[(5-chlorothiophen-2-yl)methylideneamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one?
The IUPAC name of 4-[4-[5-[[(5-chlorothiophen-2-yl)methylideneamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one (CID 78155057) is 4-[4-[5-[[(5-chlorothiophen-2-yl)methylideneamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one.
What is the SMILES notation for 4-[4-[5-[[(5-chlorothiophen-2-yl)methylideneamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one?
The canonical SMILES for 4-[4-[5-[[(5-chlorothiophen-2-yl)methylideneamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one is O=C1COCCN1c1ccc(N2CC(C/N=C/c3ccc(Cl)s3)OC2=O)cc1.
What is the InChIKey of 4-[4-[5-[[(5-chlorothiophen-2-yl)methylideneamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one?
The InChIKey is SCJMJRBLCVZTRN-UFFVCSGVSA-N. The full InChI is InChI=1S/C19H18ClN3O4S/c20-17-6-5-16(28-17)10-21-9-15-11-23(19(25)27-15)14-3-1-13(2-4-14)22-7-8-26-12-18(22)24/h1-6,10,15H,7-9,11-12H2/b21-10+.
What are the key properties of 4-[4-[5-[[(5-chlorothiophen-2-yl)methylideneamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one?
4-[4-[5-[[(5-chlorothiophen-2-yl)methylideneamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one has a molecular weight of 419.89 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[5-[[(5-chlorothiophen-2-yl)methylideneamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one is sourced from PubChem (CID 78155057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).