6-[[4-(2-hydroxyethoxy)phenyl]methylamino]-3-methyl-1,3-benzoxazol-2-one

C17H18N2O4 — CID 16677694

IUPAC6-[[4-(2-hydroxyethoxy)phenyl]methylamino]-3-methyl-1,3-benzoxazol-2-one
SMILESCn1c(=O)oc2cc(NCc3ccc(OCCO)cc3)ccc21
InChIInChI=1S/C17H18N2O4/c1-19-15-7-4-13(10-16(15)23-17(19)21)18-11-12-2-5-14(6-3-12)22-9-8-20/h2-7,10,18,20H,8-9,11H2,1H3
InChIKeyMBDZPIZUEGGPRX-UHFFFAOYSA-N
MW314.34 g/mol
LogP2.11
Rot. Bonds6

About 6-[[4-(2-hydroxyethoxy)phenyl]methylamino]-3-methyl-1,3-benzoxazol-2-one

6-[[4-(2-hydroxyethoxy)phenyl]methylamino]-3-methyl-1,3-benzoxazol-2-one (PubChem CID 16677694) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is 6-[[4-(2-hydroxyethoxy)phenyl]methylamino]-3-methyl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-[[4-(2-hydroxyethoxy)phenyl]methylamino]-3-methyl-1,3-benzoxazol-2-one
PubChem CID16677694
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Name6-[[4-(2-hydroxyethoxy)phenyl]methylamino]-3-methyl-1,3-benzoxazol-2-one
SMILESCn1c(=O)oc2cc(NCc3ccc(OCCO)cc3)ccc21
InChIInChI=1S/C17H18N2O4/c1-19-15-7-4-13(10-16(15)23-17(19)21)18-11-12-2-5-14(6-3-12)22-9-8-20/h2-7,10,18,20H,8-9,11H2,1H3
InChIKeyMBDZPIZUEGGPRX-UHFFFAOYSA-N
XLogP2.11
TPSA76.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[[4-(2-hydroxyethoxy)phenyl]methylamino]-3-methyl-1,3-benzoxazol-2-one?
The IUPAC name of 6-[[4-(2-hydroxyethoxy)phenyl]methylamino]-3-methyl-1,3-benzoxazol-2-one (CID 16677694) is 6-[[4-(2-hydroxyethoxy)phenyl]methylamino]-3-methyl-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-[[4-(2-hydroxyethoxy)phenyl]methylamino]-3-methyl-1,3-benzoxazol-2-one?
The canonical SMILES for 6-[[4-(2-hydroxyethoxy)phenyl]methylamino]-3-methyl-1,3-benzoxazol-2-one is Cn1c(=O)oc2cc(NCc3ccc(OCCO)cc3)ccc21.
What is the InChIKey of 6-[[4-(2-hydroxyethoxy)phenyl]methylamino]-3-methyl-1,3-benzoxazol-2-one?
The InChIKey is MBDZPIZUEGGPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-19-15-7-4-13(10-16(15)23-17(19)21)18-11-12-2-5-14(6-3-12)22-9-8-20/h2-7,10,18,20H,8-9,11H2,1H3.
What are the key properties of 6-[[4-(2-hydroxyethoxy)phenyl]methylamino]-3-methyl-1,3-benzoxazol-2-one?
6-[[4-(2-hydroxyethoxy)phenyl]methylamino]-3-methyl-1,3-benzoxazol-2-one has a molecular weight of 314.34 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(2-hydroxyethoxy)phenyl]methylamino]-3-methyl-1,3-benzoxazol-2-one is sourced from PubChem (CID 16677694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).