7-[[(5S)-3-(4-chlorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methoxy]-4-methylchromen-2-one

C20H16ClNO4 — CID 2040153

IUPAC7-[[(5S)-3-(4-chlorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methoxy]-4-methylchromen-2-one
SMILESCc1cc(=O)oc2cc(OC[C@@H]3C=C(c4ccc(Cl)cc4)NO3)ccc12
InChIInChI=1S/C20H16ClNO4/c1-12-8-20(23)25-19-10-15(6-7-17(12)19)24-11-16-9-18(22-26-16)13-2-4-14(21)5-3-13/h2-10,16,22H,11H2,1H3/t16-/m0/s1
InChIKeyMOGLJTAVUFKLPD-INIZCTEOSA-N
MW369.80 g/mol
LogP4.08
Rot. Bonds4

About 7-[[(5S)-3-(4-chlorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methoxy]-4-methylchromen-2-one

7-[[(5S)-3-(4-chlorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methoxy]-4-methylchromen-2-one (PubChem CID 2040153) has the molecular formula C20H16ClNO4 and a molecular weight of 369.80 g/mol. Its IUPAC name is 7-[[(5S)-3-(4-chlorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methoxy]-4-methylchromen-2-one.

Molecular Properties

Compound Name7-[[(5S)-3-(4-chlorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methoxy]-4-methylchromen-2-one
PubChem CID2040153
Molecular FormulaC20H16ClNO4
Molecular Weight369.80 g/mol
Exact Mass369.08
IUPAC Name7-[[(5S)-3-(4-chlorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methoxy]-4-methylchromen-2-one
SMILESCc1cc(=O)oc2cc(OC[C@@H]3C=C(c4ccc(Cl)cc4)NO3)ccc12
InChIInChI=1S/C20H16ClNO4/c1-12-8-20(23)25-19-10-15(6-7-17(12)19)24-11-16-9-18(22-26-16)13-2-4-14(21)5-3-13/h2-10,16,22H,11H2,1H3/t16-/m0/s1
InChIKeyMOGLJTAVUFKLPD-INIZCTEOSA-N
XLogP4.08
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.80
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 7-[[(5S)-3-(4-chlorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methoxy]-4-methylchromen-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-methyl-2-oxochromen-7-yl) 2-(4-chlorophenoxy)acetate
CID 728525
7-[(2-chloro-5-methyl-4-pyridinyl)oxy]-4-methylchromen-2-one
CID 83269220
(2,4-dichlorophenyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 8778362
2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 4616193
4-methyl-7-phenylmethoxychromen-2-one
CID 728520
5-(4-methyl-2-oxochromen-7-yl)oxypentanenitrile
CID 60673473
7-[[(2S)-5-(hydroxymethyl)-4-methyl-3-propoxyoxolan-2-yl]methoxy]-4-methylchromen-2-one
CID 170600746
N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 9412162
2-(4-chlorophenoxy)-N-(4-methyl-2-oxochromen-7-yl)acetamide
CID 2675768
4-methyl-7-(2-oxobutoxy)chromen-2-one
CID 62038518
N'-[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]-2-(4-methylphenoxy)acetohydrazide
CID 19166677
4-methyl-7-[(4-propan-2-ylphenyl)methoxy]chromen-2-one
CID 14798404

Frequently Asked Questions

What is the IUPAC name of 7-[[(5S)-3-(4-chlorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methoxy]-4-methylchromen-2-one?
The IUPAC name of 7-[[(5S)-3-(4-chlorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methoxy]-4-methylchromen-2-one (CID 2040153) is 7-[[(5S)-3-(4-chlorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methoxy]-4-methylchromen-2-one.
What is the SMILES notation for 7-[[(5S)-3-(4-chlorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methoxy]-4-methylchromen-2-one?
The canonical SMILES for 7-[[(5S)-3-(4-chlorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methoxy]-4-methylchromen-2-one is Cc1cc(=O)oc2cc(OC[C@@H]3C=C(c4ccc(Cl)cc4)NO3)ccc12.
What is the InChIKey of 7-[[(5S)-3-(4-chlorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methoxy]-4-methylchromen-2-one?
The InChIKey is MOGLJTAVUFKLPD-INIZCTEOSA-N. The full InChI is InChI=1S/C20H16ClNO4/c1-12-8-20(23)25-19-10-15(6-7-17(12)19)24-11-16-9-18(22-26-16)13-2-4-14(21)5-3-13/h2-10,16,22H,11H2,1H3/t16-/m0/s1.
What are the key properties of 7-[[(5S)-3-(4-chlorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methoxy]-4-methylchromen-2-one?
7-[[(5S)-3-(4-chlorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methoxy]-4-methylchromen-2-one has a molecular weight of 369.80 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[(5S)-3-(4-chlorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methoxy]-4-methylchromen-2-one is sourced from PubChem (CID 2040153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).