3-[2-[3-chloro-4-(morpholine-4-carbonyl)anilino]ethyl]-1,3-benzoxazol-2-one

C20H20ClN3O4 — CID 60539187

IUPAC3-[2-[3-chloro-4-(morpholine-4-carbonyl)anilino]ethyl]-1,3-benzoxazol-2-one
SMILESO=C(c1ccc(NCCn2c(=O)oc3ccccc32)cc1Cl)N1CCOCC1
InChIInChI=1S/C20H20ClN3O4/c21-16-13-14(5-6-15(16)19(25)23-9-11-27-12-10-23)22-7-8-24-17-3-1-2-4-18(17)28-20(24)26/h1-6,13,22H,7-12H2
InChIKeyXQYRNXKKYWECDI-UHFFFAOYSA-N
MW401.85 g/mol
LogP2.83
Rot. Bonds5

About 3-[2-[3-chloro-4-(morpholine-4-carbonyl)anilino]ethyl]-1,3-benzoxazol-2-one

3-[2-[3-chloro-4-(morpholine-4-carbonyl)anilino]ethyl]-1,3-benzoxazol-2-one (PubChem CID 60539187) has the molecular formula C20H20ClN3O4 and a molecular weight of 401.85 g/mol. Its IUPAC name is 3-[2-[3-chloro-4-(morpholine-4-carbonyl)anilino]ethyl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-[2-[3-chloro-4-(morpholine-4-carbonyl)anilino]ethyl]-1,3-benzoxazol-2-one
PubChem CID60539187
Molecular FormulaC20H20ClN3O4
Molecular Weight401.85 g/mol
Exact Mass401.11
IUPAC Name3-[2-[3-chloro-4-(morpholine-4-carbonyl)anilino]ethyl]-1,3-benzoxazol-2-one
SMILESO=C(c1ccc(NCCn2c(=O)oc3ccccc32)cc1Cl)N1CCOCC1
InChIInChI=1S/C20H20ClN3O4/c21-16-13-14(5-6-15(16)19(25)23-9-11-27-12-10-23)22-7-8-24-17-3-1-2-4-18(17)28-20(24)26/h1-6,13,22H,7-12H2
InChIKeyXQYRNXKKYWECDI-UHFFFAOYSA-N
XLogP2.83
TPSA76.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.85
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-chloro-4-(morpholine-4-carbonyl)anilino]ethyl]-1,3-benzoxazol-2-one?
The IUPAC name of 3-[2-[3-chloro-4-(morpholine-4-carbonyl)anilino]ethyl]-1,3-benzoxazol-2-one (CID 60539187) is 3-[2-[3-chloro-4-(morpholine-4-carbonyl)anilino]ethyl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-[2-[3-chloro-4-(morpholine-4-carbonyl)anilino]ethyl]-1,3-benzoxazol-2-one?
The canonical SMILES for 3-[2-[3-chloro-4-(morpholine-4-carbonyl)anilino]ethyl]-1,3-benzoxazol-2-one is O=C(c1ccc(NCCn2c(=O)oc3ccccc32)cc1Cl)N1CCOCC1.
What is the InChIKey of 3-[2-[3-chloro-4-(morpholine-4-carbonyl)anilino]ethyl]-1,3-benzoxazol-2-one?
The InChIKey is XQYRNXKKYWECDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O4/c21-16-13-14(5-6-15(16)19(25)23-9-11-27-12-10-23)22-7-8-24-17-3-1-2-4-18(17)28-20(24)26/h1-6,13,22H,7-12H2.
What are the key properties of 3-[2-[3-chloro-4-(morpholine-4-carbonyl)anilino]ethyl]-1,3-benzoxazol-2-one?
3-[2-[3-chloro-4-(morpholine-4-carbonyl)anilino]ethyl]-1,3-benzoxazol-2-one has a molecular weight of 401.85 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-chloro-4-(morpholine-4-carbonyl)anilino]ethyl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 60539187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).