2-(5-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide

C20H19ClN2O4 — CID 46978053

IUPAC2-(5-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide
SMILESCC1(C)CC(NC(=O)Cn2c(=O)oc3ccc(Cl)cc32)c2ccccc2O1
InChIInChI=1S/C20H19ClN2O4/c1-20(2)10-14(13-5-3-4-6-16(13)27-20)22-18(24)11-23-15-9-12(21)7-8-17(15)26-19(23)25/h3-9,14H,10-11H2,1-2H3,(H,22,24)
InChIKeyDDDYLJYMRNGKLT-UHFFFAOYSA-N
MW386.84 g/mol
LogP3.67
Rot. Bonds3

About 2-(5-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide

2-(5-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide (PubChem CID 46978053) has the molecular formula C20H19ClN2O4 and a molecular weight of 386.84 g/mol. Its IUPAC name is 2-(5-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide.

Molecular Properties

Compound Name2-(5-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide
PubChem CID46978053
Molecular FormulaC20H19ClN2O4
Molecular Weight386.84 g/mol
Exact Mass386.10
IUPAC Name2-(5-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide
SMILESCC1(C)CC(NC(=O)Cn2c(=O)oc3ccc(Cl)cc32)c2ccccc2O1
InChIInChI=1S/C20H19ClN2O4/c1-20(2)10-14(13-5-3-4-6-16(13)27-20)22-18(24)11-23-15-9-12(21)7-8-17(15)26-19(23)25/h3-9,14H,10-11H2,1-2H3,(H,22,24)
InChIKeyDDDYLJYMRNGKLT-UHFFFAOYSA-N
XLogP3.67
TPSA73.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.84
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide?
The IUPAC name of 2-(5-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide (CID 46978053) is 2-(5-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide.
What is the SMILES notation for 2-(5-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide?
The canonical SMILES for 2-(5-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide is CC1(C)CC(NC(=O)Cn2c(=O)oc3ccc(Cl)cc32)c2ccccc2O1.
What is the InChIKey of 2-(5-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide?
The InChIKey is DDDYLJYMRNGKLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O4/c1-20(2)10-14(13-5-3-4-6-16(13)27-20)22-18(24)11-23-15-9-12(21)7-8-17(15)26-19(23)25/h3-9,14H,10-11H2,1-2H3,(H,22,24).
What are the key properties of 2-(5-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide?
2-(5-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide has a molecular weight of 386.84 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide is sourced from PubChem (CID 46978053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).