6-chloro-3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methyl]chromen-4-one

C19H19ClN2O3 — CID 50962408

IUPAC6-chloro-3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methyl]chromen-4-one
SMILESCc1noc(C)c1C1CCCN1Cc1coc2ccc(Cl)cc2c1=O
InChIInChI=1S/C19H19ClN2O3/c1-11-18(12(2)25-21-11)16-4-3-7-22(16)9-13-10-24-17-6-5-14(20)8-15(17)19(13)23/h5-6,8,10,16H,3-4,7,9H2,1-2H3
InChIKeyVLESQVJHQFVTSN-UHFFFAOYSA-N
MW358.83 g/mol
LogP4.39
Rot. Bonds3

About 6-chloro-3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methyl]chromen-4-one

6-chloro-3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methyl]chromen-4-one (PubChem CID 50962408) has the molecular formula C19H19ClN2O3 and a molecular weight of 358.83 g/mol. Its IUPAC name is 6-chloro-3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methyl]chromen-4-one.

Molecular Properties

Compound Name6-chloro-3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methyl]chromen-4-one
PubChem CID50962408
Molecular FormulaC19H19ClN2O3
Molecular Weight358.83 g/mol
Exact Mass358.11
IUPAC Name6-chloro-3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methyl]chromen-4-one
SMILESCc1noc(C)c1C1CCCN1Cc1coc2ccc(Cl)cc2c1=O
InChIInChI=1S/C19H19ClN2O3/c1-11-18(12(2)25-21-11)16-4-3-7-22(16)9-13-10-24-17-6-5-14(20)8-15(17)19(13)23/h5-6,8,10,16H,3-4,7,9H2,1-2H3
InChIKeyVLESQVJHQFVTSN-UHFFFAOYSA-N
XLogP4.39
TPSA59.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methyl]chromen-4-one?
The IUPAC name of 6-chloro-3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methyl]chromen-4-one (CID 50962408) is 6-chloro-3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methyl]chromen-4-one.
What is the SMILES notation for 6-chloro-3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methyl]chromen-4-one?
The canonical SMILES for 6-chloro-3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methyl]chromen-4-one is Cc1noc(C)c1C1CCCN1Cc1coc2ccc(Cl)cc2c1=O.
What is the InChIKey of 6-chloro-3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methyl]chromen-4-one?
The InChIKey is VLESQVJHQFVTSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O3/c1-11-18(12(2)25-21-11)16-4-3-7-22(16)9-13-10-24-17-6-5-14(20)8-15(17)19(13)23/h5-6,8,10,16H,3-4,7,9H2,1-2H3.
What are the key properties of 6-chloro-3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methyl]chromen-4-one?
6-chloro-3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methyl]chromen-4-one has a molecular weight of 358.83 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methyl]chromen-4-one is sourced from PubChem (CID 50962408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).