7-[[[5-(3-hydroxypentan-3-yl)-1,3,4-oxadiazol-2-yl]amino]methyl]-4-(4-methoxyphenyl)chromen-2-one

C24H25N3O5 — CID 11856709

IUPAC7-[[[5-(3-hydroxypentan-3-yl)-1,3,4-oxadiazol-2-yl]amino]methyl]-4-(4-methoxyphenyl)chromen-2-one
SMILESCCC(O)(CC)c1nnc(NCc2ccc3c(-c4ccc(OC)cc4)cc(=O)oc3c2)o1
InChIInChI=1S/C24H25N3O5/c1-4-24(29,5-2)22-26-27-23(32-22)25-14-15-6-11-18-19(13-21(28)31-20(18)12-15)16-7-9-17(30-3)10-8-16/h6-13,29H,4-5,14H2,1-3H3,(H,25,27)
InChIKeyKHDBGWSHIGDQKO-UHFFFAOYSA-N
MW435.48 g/mol
LogP4.47
Rot. Bonds8

About 7-[[[5-(3-hydroxypentan-3-yl)-1,3,4-oxadiazol-2-yl]amino]methyl]-4-(4-methoxyphenyl)chromen-2-one

7-[[[5-(3-hydroxypentan-3-yl)-1,3,4-oxadiazol-2-yl]amino]methyl]-4-(4-methoxyphenyl)chromen-2-one (PubChem CID 11856709) has the molecular formula C24H25N3O5 and a molecular weight of 435.48 g/mol. Its IUPAC name is 7-[[[5-(3-hydroxypentan-3-yl)-1,3,4-oxadiazol-2-yl]amino]methyl]-4-(4-methoxyphenyl)chromen-2-one.

Molecular Properties

Compound Name7-[[[5-(3-hydroxypentan-3-yl)-1,3,4-oxadiazol-2-yl]amino]methyl]-4-(4-methoxyphenyl)chromen-2-one
PubChem CID11856709
Molecular FormulaC24H25N3O5
Molecular Weight435.48 g/mol
Exact Mass435.18
IUPAC Name7-[[[5-(3-hydroxypentan-3-yl)-1,3,4-oxadiazol-2-yl]amino]methyl]-4-(4-methoxyphenyl)chromen-2-one
SMILESCCC(O)(CC)c1nnc(NCc2ccc3c(-c4ccc(OC)cc4)cc(=O)oc3c2)o1
InChIInChI=1S/C24H25N3O5/c1-4-24(29,5-2)22-26-27-23(32-22)25-14-15-6-11-18-19(13-21(28)31-20(18)12-15)16-7-9-17(30-3)10-8-16/h6-13,29H,4-5,14H2,1-3H3,(H,25,27)
InChIKeyKHDBGWSHIGDQKO-UHFFFAOYSA-N
XLogP4.47
TPSA110.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 7-[[[5-(3-hydroxypentan-3-yl)-1,3,4-oxadiazol-2-yl]amino]methyl]-4-(4-methoxyphenyl)chromen-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

7-[[[5-(3-hydroxypentan-3-yl)-1H-imidazol-2-yl]amino]methyl]-4-(4-methoxyphenyl)chromen-2-one
CID 141295385
7-[[amino-[(Z)-2-amino-3-ethyl-3-hydroxypent-1-enyl]amino]methyl]-4-(4-methoxyphenyl)chromen-2-one
CID 143731014
4-(4-fluorophenyl)-7-[[[5-[(1S)-1-hydroxypropyl]-1,3,4-oxadiazol-2-yl]amino]methyl]chromen-2-one
CID 143782542
7-[[[5-(3-hydroxypentan-3-yl)-1,3,4-oxadiazol-2-yl]amino]methyl]-4-phenylquinoline-2-carbonitrile
CID 16665692
4-(4-fluorophenyl)-7-[[[5-[hydroxy(phenyl)methyl]-1,3,4-oxadiazol-2-yl]amino]methyl]chromen-2-one
CID 11855901
2-[4-(4-methoxyphenyl)-2-oxochromen-7-yl]oxy-N-(pyridin-3-ylmethyl)acetamide
CID 4965250
6-methoxy-4-(4-methoxyphenyl)chromen-2-one
CID 10516997
4-(3,4-dimethoxyphenyl)-7-methoxychromen-2-one
CID 46879082
N-(2,6-dimethylphenyl)-2-[4-(4-methoxyphenyl)-2-oxochromen-7-yl]oxyacetamide
CID 1297755
(2-oxo-4-phenylchromen-7-yl) 2-(4-methoxyphenoxy)acetate
CID 8839258
2-[4-(4-methoxyphenyl)-2-oxochromen-7-yl]oxy-N-(pyridin-2-ylmethyl)propanamide
CID 4967046
(2S)-N-(furan-2-ylmethyl)-2-[4-(4-methoxyphenyl)-2-oxochromen-7-yl]oxypropanamide
CID 8015800

Frequently Asked Questions

What is the IUPAC name of 7-[[[5-(3-hydroxypentan-3-yl)-1,3,4-oxadiazol-2-yl]amino]methyl]-4-(4-methoxyphenyl)chromen-2-one?
The IUPAC name of 7-[[[5-(3-hydroxypentan-3-yl)-1,3,4-oxadiazol-2-yl]amino]methyl]-4-(4-methoxyphenyl)chromen-2-one (CID 11856709) is 7-[[[5-(3-hydroxypentan-3-yl)-1,3,4-oxadiazol-2-yl]amino]methyl]-4-(4-methoxyphenyl)chromen-2-one.
What is the SMILES notation for 7-[[[5-(3-hydroxypentan-3-yl)-1,3,4-oxadiazol-2-yl]amino]methyl]-4-(4-methoxyphenyl)chromen-2-one?
The canonical SMILES for 7-[[[5-(3-hydroxypentan-3-yl)-1,3,4-oxadiazol-2-yl]amino]methyl]-4-(4-methoxyphenyl)chromen-2-one is CCC(O)(CC)c1nnc(NCc2ccc3c(-c4ccc(OC)cc4)cc(=O)oc3c2)o1.
What is the InChIKey of 7-[[[5-(3-hydroxypentan-3-yl)-1,3,4-oxadiazol-2-yl]amino]methyl]-4-(4-methoxyphenyl)chromen-2-one?
The InChIKey is KHDBGWSHIGDQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O5/c1-4-24(29,5-2)22-26-27-23(32-22)25-14-15-6-11-18-19(13-21(28)31-20(18)12-15)16-7-9-17(30-3)10-8-16/h6-13,29H,4-5,14H2,1-3H3,(H,25,27).
What are the key properties of 7-[[[5-(3-hydroxypentan-3-yl)-1,3,4-oxadiazol-2-yl]amino]methyl]-4-(4-methoxyphenyl)chromen-2-one?
7-[[[5-(3-hydroxypentan-3-yl)-1,3,4-oxadiazol-2-yl]amino]methyl]-4-(4-methoxyphenyl)chromen-2-one has a molecular weight of 435.48 g/mol, XLogP of 4.47, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[[5-(3-hydroxypentan-3-yl)-1,3,4-oxadiazol-2-yl]amino]methyl]-4-(4-methoxyphenyl)chromen-2-one is sourced from PubChem (CID 11856709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).