6-[amino-(5-methyloxolan-2-yl)methyl]-3-propyl-1,3-benzoxazol-2-one

C16H22N2O3 — CID 81331275

IUPAC6-[amino-(5-methyloxolan-2-yl)methyl]-3-propyl-1,3-benzoxazol-2-one
SMILESCCCn1c(=O)oc2cc(C(N)C3CCC(C)O3)ccc21
InChIInChI=1S/C16H22N2O3/c1-3-8-18-12-6-5-11(9-14(12)21-16(18)19)15(17)13-7-4-10(2)20-13/h5-6,9-10,13,15H,3-4,7-8,17H2,1-2H3
InChIKeySPMUDWJGINPXQB-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.57
Rot. Bonds4

About 6-[amino-(5-methyloxolan-2-yl)methyl]-3-propyl-1,3-benzoxazol-2-one

6-[amino-(5-methyloxolan-2-yl)methyl]-3-propyl-1,3-benzoxazol-2-one (PubChem CID 81331275) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 6-[amino-(5-methyloxolan-2-yl)methyl]-3-propyl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-[amino-(5-methyloxolan-2-yl)methyl]-3-propyl-1,3-benzoxazol-2-one
PubChem CID81331275
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name6-[amino-(5-methyloxolan-2-yl)methyl]-3-propyl-1,3-benzoxazol-2-one
SMILESCCCn1c(=O)oc2cc(C(N)C3CCC(C)O3)ccc21
InChIInChI=1S/C16H22N2O3/c1-3-8-18-12-6-5-11(9-14(12)21-16(18)19)15(17)13-7-4-10(2)20-13/h5-6,9-10,13,15H,3-4,7-8,17H2,1-2H3
InChIKeySPMUDWJGINPXQB-UHFFFAOYSA-N
XLogP2.57
TPSA70.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(1-aminoethyl)-3-propyl-1,3-benzoxazol-2-one
CID 62300066
6-[amino(oxan-3-yl)methyl]-3-propyl-1,3-benzoxazol-2-one
CID 63013467
6-[(1S)-1-aminopropyl]-3-propyl-1,3-benzoxazol-2-one
CID 82758221
6-[bromo(cyclopentyl)methyl]-3-propyl-1,3-benzoxazol-2-one
CID 63444405
6-(1-chloroethyl)-3-propyl-1,3-benzoxazol-2-one
CID 62300248
6-[2-cyclopropyl-1-(methylamino)ethyl]-3-propyl-1,3-benzoxazol-2-one
CID 62298654
6-(2-cyclopentyl-1-hydroxyethyl)-3-propyl-1,3-benzoxazol-2-one
CID 62299898
3-methyl-6-[methylamino-(5-methyloxolan-2-yl)methyl]-1,3-benzoxazol-2-one
CID 81329934
6-(1-chloro-2-ethylbutyl)-3-propyl-1,3-benzoxazol-2-one
CID 63444227
6-[chloro(1,4-dioxan-2-yl)methyl]-3-propyl-1,3-benzoxazol-2-one
CID 62805478
6-(1-hydroxy-3,3-dimethylbutyl)-3-propyl-1,3-benzoxazol-2-one
CID 62298658
6-(4-amino-1-hydroxybutyl)-3-propyl-1,3-benzoxazol-2-one
CID 82341307

Frequently Asked Questions

What is the IUPAC name of 6-[amino-(5-methyloxolan-2-yl)methyl]-3-propyl-1,3-benzoxazol-2-one?
The IUPAC name of 6-[amino-(5-methyloxolan-2-yl)methyl]-3-propyl-1,3-benzoxazol-2-one (CID 81331275) is 6-[amino-(5-methyloxolan-2-yl)methyl]-3-propyl-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-[amino-(5-methyloxolan-2-yl)methyl]-3-propyl-1,3-benzoxazol-2-one?
The canonical SMILES for 6-[amino-(5-methyloxolan-2-yl)methyl]-3-propyl-1,3-benzoxazol-2-one is CCCn1c(=O)oc2cc(C(N)C3CCC(C)O3)ccc21.
What is the InChIKey of 6-[amino-(5-methyloxolan-2-yl)methyl]-3-propyl-1,3-benzoxazol-2-one?
The InChIKey is SPMUDWJGINPXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-3-8-18-12-6-5-11(9-14(12)21-16(18)19)15(17)13-7-4-10(2)20-13/h5-6,9-10,13,15H,3-4,7-8,17H2,1-2H3.
What are the key properties of 6-[amino-(5-methyloxolan-2-yl)methyl]-3-propyl-1,3-benzoxazol-2-one?
6-[amino-(5-methyloxolan-2-yl)methyl]-3-propyl-1,3-benzoxazol-2-one has a molecular weight of 290.36 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[amino-(5-methyloxolan-2-yl)methyl]-3-propyl-1,3-benzoxazol-2-one is sourced from PubChem (CID 81331275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).