6-[(2,2-dimethylcyclopropyl)-(ethylamino)methyl]-3H-1,3-benzoxazol-2-one

C15H20N2O2 — CID 107001061

IUPAC6-[(2,2-dimethylcyclopropyl)-(ethylamino)methyl]-3H-1,3-benzoxazol-2-one
SMILESCCNC(c1ccc2[nH]c(=O)oc2c1)C1CC1(C)C
InChIInChI=1S/C15H20N2O2/c1-4-16-13(10-8-15(10,2)3)9-5-6-11-12(7-9)19-14(18)17-11/h5-7,10,13,16H,4,8H2,1-3H3,(H,17,18)
InChIKeyARENUQAHDCSIIT-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.82
Rot. Bonds4

About 6-[(2,2-dimethylcyclopropyl)-(ethylamino)methyl]-3H-1,3-benzoxazol-2-one

6-[(2,2-dimethylcyclopropyl)-(ethylamino)methyl]-3H-1,3-benzoxazol-2-one (PubChem CID 107001061) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 6-[(2,2-dimethylcyclopropyl)-(ethylamino)methyl]-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-[(2,2-dimethylcyclopropyl)-(ethylamino)methyl]-3H-1,3-benzoxazol-2-one
PubChem CID107001061
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name6-[(2,2-dimethylcyclopropyl)-(ethylamino)methyl]-3H-1,3-benzoxazol-2-one
SMILESCCNC(c1ccc2[nH]c(=O)oc2c1)C1CC1(C)C
InChIInChI=1S/C15H20N2O2/c1-4-16-13(10-8-15(10,2)3)9-5-6-11-12(7-9)19-14(18)17-11/h5-7,10,13,16H,4,8H2,1-3H3,(H,17,18)
InChIKeyARENUQAHDCSIIT-UHFFFAOYSA-N
XLogP2.82
TPSA58.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(2-methylcyclopentyl)-(propylamino)methyl]-3H-1,3-benzoxazol-2-one
CID 107177554
6-[ethylamino-(2-methylphenyl)methyl]-3H-1,3-benzoxazol-2-one
CID 43492593
6-[ethylamino-(5-methylfuran-3-yl)methyl]-3H-1,3-benzoxazol-2-one
CID 114820019
6-[1-(ethylamino)-2-(1-methoxycyclobutyl)ethyl]-3H-1,3-benzoxazol-2-one
CID 103556245
6-[1-(ethylamino)-3,4,4-trimethylpentyl]-3H-1,3-benzoxazol-2-one
CID 63832546
6-[ethylamino(thiophen-2-yl)methyl]-3H-1,3-benzoxazol-2-one
CID 43492554
N-[(2,2-dimethylcyclopropyl)-(4-propan-2-ylphenyl)methyl]ethanamine
CID 107001147
6-[chloro-(2,2-dimethylcyclohexyl)methyl]-3H-1,3-benzoxazol-2-one
CID 107182046
6-[2-chloro-1-(methylamino)ethyl]-3H-1,3-benzoxazol-2-one
CID 116952665
N-[3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(2,2-dimethylcyclopropyl)methyl]ethanamine
CID 107001028
N-[2,3-dihydro-1-benzofuran-5-yl-(2,2-dimethylcyclopropyl)methyl]ethanamine
CID 107001033
N-[(2,2-dimethylcyclopropyl)-(3-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]ethanamine
CID 107001259

Frequently Asked Questions

What is the IUPAC name of 6-[(2,2-dimethylcyclopropyl)-(ethylamino)methyl]-3H-1,3-benzoxazol-2-one?
The IUPAC name of 6-[(2,2-dimethylcyclopropyl)-(ethylamino)methyl]-3H-1,3-benzoxazol-2-one (CID 107001061) is 6-[(2,2-dimethylcyclopropyl)-(ethylamino)methyl]-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-[(2,2-dimethylcyclopropyl)-(ethylamino)methyl]-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 6-[(2,2-dimethylcyclopropyl)-(ethylamino)methyl]-3H-1,3-benzoxazol-2-one is CCNC(c1ccc2[nH]c(=O)oc2c1)C1CC1(C)C.
What is the InChIKey of 6-[(2,2-dimethylcyclopropyl)-(ethylamino)methyl]-3H-1,3-benzoxazol-2-one?
The InChIKey is ARENUQAHDCSIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-4-16-13(10-8-15(10,2)3)9-5-6-11-12(7-9)19-14(18)17-11/h5-7,10,13,16H,4,8H2,1-3H3,(H,17,18).
What are the key properties of 6-[(2,2-dimethylcyclopropyl)-(ethylamino)methyl]-3H-1,3-benzoxazol-2-one?
6-[(2,2-dimethylcyclopropyl)-(ethylamino)methyl]-3H-1,3-benzoxazol-2-one has a molecular weight of 260.34 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,2-dimethylcyclopropyl)-(ethylamino)methyl]-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 107001061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).