6-[2-cyclopropyl-1-(methylamino)ethyl]-3-propyl-1,3-benzoxazol-2-one

C16H22N2O2 — CID 62298654

IUPAC6-[2-cyclopropyl-1-(methylamino)ethyl]-3-propyl-1,3-benzoxazol-2-one
SMILESCCCn1c(=O)oc2cc(C(CC3CC3)NC)ccc21
InChIInChI=1S/C16H22N2O2/c1-3-8-18-14-7-6-12(10-15(14)20-16(18)19)13(17-2)9-11-4-5-11/h6-7,10-11,13,17H,3-5,8-9H2,1-2H3
InChIKeyWZYFCXMGATWRRV-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.07
Rot. Bonds6

About 6-[2-cyclopropyl-1-(methylamino)ethyl]-3-propyl-1,3-benzoxazol-2-one

6-[2-cyclopropyl-1-(methylamino)ethyl]-3-propyl-1,3-benzoxazol-2-one (PubChem CID 62298654) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 6-[2-cyclopropyl-1-(methylamino)ethyl]-3-propyl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-[2-cyclopropyl-1-(methylamino)ethyl]-3-propyl-1,3-benzoxazol-2-one
PubChem CID62298654
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name6-[2-cyclopropyl-1-(methylamino)ethyl]-3-propyl-1,3-benzoxazol-2-one
SMILESCCCn1c(=O)oc2cc(C(CC3CC3)NC)ccc21
InChIInChI=1S/C16H22N2O2/c1-3-8-18-14-7-6-12(10-15(14)20-16(18)19)13(17-2)9-11-4-5-11/h6-7,10-11,13,17H,3-5,8-9H2,1-2H3
InChIKeyWZYFCXMGATWRRV-UHFFFAOYSA-N
XLogP3.07
TPSA47.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[2-cyclopropyl-1-(methylamino)ethyl]-3-propyl-1,3-benzoxazol-2-one?
The IUPAC name of 6-[2-cyclopropyl-1-(methylamino)ethyl]-3-propyl-1,3-benzoxazol-2-one (CID 62298654) is 6-[2-cyclopropyl-1-(methylamino)ethyl]-3-propyl-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-[2-cyclopropyl-1-(methylamino)ethyl]-3-propyl-1,3-benzoxazol-2-one?
The canonical SMILES for 6-[2-cyclopropyl-1-(methylamino)ethyl]-3-propyl-1,3-benzoxazol-2-one is CCCn1c(=O)oc2cc(C(CC3CC3)NC)ccc21.
What is the InChIKey of 6-[2-cyclopropyl-1-(methylamino)ethyl]-3-propyl-1,3-benzoxazol-2-one?
The InChIKey is WZYFCXMGATWRRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-3-8-18-14-7-6-12(10-15(14)20-16(18)19)13(17-2)9-11-4-5-11/h6-7,10-11,13,17H,3-5,8-9H2,1-2H3.
What are the key properties of 6-[2-cyclopropyl-1-(methylamino)ethyl]-3-propyl-1,3-benzoxazol-2-one?
6-[2-cyclopropyl-1-(methylamino)ethyl]-3-propyl-1,3-benzoxazol-2-one has a molecular weight of 274.36 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-cyclopropyl-1-(methylamino)ethyl]-3-propyl-1,3-benzoxazol-2-one is sourced from PubChem (CID 62298654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).