6-[3-(diethylamino)propyl]-3-methyl-1,3-benzoxazol-2-one

C15H22N2O2 — CID 14751611

IUPAC6-[3-(diethylamino)propyl]-3-methyl-1,3-benzoxazol-2-one
SMILESCCN(CC)CCCc1ccc2c(c1)oc(=O)n2C
InChIInChI=1S/C15H22N2O2/c1-4-17(5-2)10-6-7-12-8-9-13-14(11-12)19-15(18)16(13)3/h8-9,11H,4-7,10H2,1-3H3
InChIKeyGKXMIGRLYGTEPR-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.41
Rot. Bonds6

About 6-[3-(diethylamino)propyl]-3-methyl-1,3-benzoxazol-2-one

6-[3-(diethylamino)propyl]-3-methyl-1,3-benzoxazol-2-one (PubChem CID 14751611) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 6-[3-(diethylamino)propyl]-3-methyl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-[3-(diethylamino)propyl]-3-methyl-1,3-benzoxazol-2-one
PubChem CID14751611
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name6-[3-(diethylamino)propyl]-3-methyl-1,3-benzoxazol-2-one
SMILESCCN(CC)CCCc1ccc2c(c1)oc(=O)n2C
InChIInChI=1S/C15H22N2O2/c1-4-17(5-2)10-6-7-12-8-9-13-14(11-12)19-15(18)16(13)3/h8-9,11H,4-7,10H2,1-3H3
InChIKeyGKXMIGRLYGTEPR-UHFFFAOYSA-N
XLogP2.41
TPSA38.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(diethylamino)propyl]-3-methyl-1,3-benzoxazol-2-one?
The IUPAC name of 6-[3-(diethylamino)propyl]-3-methyl-1,3-benzoxazol-2-one (CID 14751611) is 6-[3-(diethylamino)propyl]-3-methyl-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-[3-(diethylamino)propyl]-3-methyl-1,3-benzoxazol-2-one?
The canonical SMILES for 6-[3-(diethylamino)propyl]-3-methyl-1,3-benzoxazol-2-one is CCN(CC)CCCc1ccc2c(c1)oc(=O)n2C.
What is the InChIKey of 6-[3-(diethylamino)propyl]-3-methyl-1,3-benzoxazol-2-one?
The InChIKey is GKXMIGRLYGTEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-4-17(5-2)10-6-7-12-8-9-13-14(11-12)19-15(18)16(13)3/h8-9,11H,4-7,10H2,1-3H3.
What are the key properties of 6-[3-(diethylamino)propyl]-3-methyl-1,3-benzoxazol-2-one?
6-[3-(diethylamino)propyl]-3-methyl-1,3-benzoxazol-2-one has a molecular weight of 262.35 g/mol, XLogP of 2.41, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(diethylamino)propyl]-3-methyl-1,3-benzoxazol-2-one is sourced from PubChem (CID 14751611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).