1-[[3-(4-propylphenyl)-4H-chromeno[3,4-d][1,2]oxazol-7-yl]methyl]azetidine-3-carboxylic acid

C24H24N2O4 — CID 53235407

IUPAC1-[[3-(4-propylphenyl)-4H-chromeno[3,4-d][1,2]oxazol-7-yl]methyl]azetidine-3-carboxylic acid
SMILESCCCc1ccc(-c2noc3c2COc2cc(CN4CC(C(=O)O)C4)ccc2-3)cc1
InChIInChI=1S/C24H24N2O4/c1-2-3-15-4-7-17(8-5-15)22-20-14-29-21-10-16(6-9-19(21)23(20)30-25-22)11-26-12-18(13-26)24(27)28/h4-10,18H,2-3,11-14H2,1H3,(H,27,28)
InChIKeyMWIFWDFPCPUHJU-UHFFFAOYSA-N
MW404.47 g/mol
LogP4.37
Rot. Bonds6

About 1-[[3-(4-propylphenyl)-4H-chromeno[3,4-d][1,2]oxazol-7-yl]methyl]azetidine-3-carboxylic acid

1-[[3-(4-propylphenyl)-4H-chromeno[3,4-d][1,2]oxazol-7-yl]methyl]azetidine-3-carboxylic acid (PubChem CID 53235407) has the molecular formula C24H24N2O4 and a molecular weight of 404.47 g/mol. Its IUPAC name is 1-[[3-(4-propylphenyl)-4H-chromeno[3,4-d][1,2]oxazol-7-yl]methyl]azetidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[3-(4-propylphenyl)-4H-chromeno[3,4-d][1,2]oxazol-7-yl]methyl]azetidine-3-carboxylic acid
PubChem CID53235407
Molecular FormulaC24H24N2O4
Molecular Weight404.47 g/mol
Exact Mass404.17
IUPAC Name1-[[3-(4-propylphenyl)-4H-chromeno[3,4-d][1,2]oxazol-7-yl]methyl]azetidine-3-carboxylic acid
SMILESCCCc1ccc(-c2noc3c2COc2cc(CN4CC(C(=O)O)C4)ccc2-3)cc1
InChIInChI=1S/C24H24N2O4/c1-2-3-15-4-7-17(8-5-15)22-20-14-29-21-10-16(6-9-19(21)23(20)30-25-22)11-26-12-18(13-26)24(27)28/h4-10,18H,2-3,11-14H2,1H3,(H,27,28)
InChIKeyMWIFWDFPCPUHJU-UHFFFAOYSA-N
XLogP4.37
TPSA75.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(4-propylphenyl)-4H-chromeno[3,4-d][1,2]oxazol-7-yl]methyl]azetidine-3-carboxylic acid?
The IUPAC name of 1-[[3-(4-propylphenyl)-4H-chromeno[3,4-d][1,2]oxazol-7-yl]methyl]azetidine-3-carboxylic acid (CID 53235407) is 1-[[3-(4-propylphenyl)-4H-chromeno[3,4-d][1,2]oxazol-7-yl]methyl]azetidine-3-carboxylic acid.
What is the SMILES notation for 1-[[3-(4-propylphenyl)-4H-chromeno[3,4-d][1,2]oxazol-7-yl]methyl]azetidine-3-carboxylic acid?
The canonical SMILES for 1-[[3-(4-propylphenyl)-4H-chromeno[3,4-d][1,2]oxazol-7-yl]methyl]azetidine-3-carboxylic acid is CCCc1ccc(-c2noc3c2COc2cc(CN4CC(C(=O)O)C4)ccc2-3)cc1.
What is the InChIKey of 1-[[3-(4-propylphenyl)-4H-chromeno[3,4-d][1,2]oxazol-7-yl]methyl]azetidine-3-carboxylic acid?
The InChIKey is MWIFWDFPCPUHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4/c1-2-3-15-4-7-17(8-5-15)22-20-14-29-21-10-16(6-9-19(21)23(20)30-25-22)11-26-12-18(13-26)24(27)28/h4-10,18H,2-3,11-14H2,1H3,(H,27,28).
What are the key properties of 1-[[3-(4-propylphenyl)-4H-chromeno[3,4-d][1,2]oxazol-7-yl]methyl]azetidine-3-carboxylic acid?
1-[[3-(4-propylphenyl)-4H-chromeno[3,4-d][1,2]oxazol-7-yl]methyl]azetidine-3-carboxylic acid has a molecular weight of 404.47 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(4-propylphenyl)-4H-chromeno[3,4-d][1,2]oxazol-7-yl]methyl]azetidine-3-carboxylic acid is sourced from PubChem (CID 53235407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).