6-[1-(ethylamino)-2-(1-methoxycyclobutyl)ethyl]-3H-1,3-benzoxazol-2-one

C16H22N2O3 — CID 103556245

IUPAC6-[1-(ethylamino)-2-(1-methoxycyclobutyl)ethyl]-3H-1,3-benzoxazol-2-one
SMILESCCNC(CC1(OC)CCC1)c1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C16H22N2O3/c1-3-17-13(10-16(20-2)7-4-8-16)11-5-6-12-14(9-11)21-15(19)18-12/h5-6,9,13,17H,3-4,7-8,10H2,1-2H3,(H,18,19)
InChIKeySZALZCUAYUPTIA-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.73
Rot. Bonds6

About 6-[1-(ethylamino)-2-(1-methoxycyclobutyl)ethyl]-3H-1,3-benzoxazol-2-one

6-[1-(ethylamino)-2-(1-methoxycyclobutyl)ethyl]-3H-1,3-benzoxazol-2-one (PubChem CID 103556245) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 6-[1-(ethylamino)-2-(1-methoxycyclobutyl)ethyl]-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-[1-(ethylamino)-2-(1-methoxycyclobutyl)ethyl]-3H-1,3-benzoxazol-2-one
PubChem CID103556245
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name6-[1-(ethylamino)-2-(1-methoxycyclobutyl)ethyl]-3H-1,3-benzoxazol-2-one
SMILESCCNC(CC1(OC)CCC1)c1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C16H22N2O3/c1-3-17-13(10-16(20-2)7-4-8-16)11-5-6-12-14(9-11)21-15(19)18-12/h5-6,9,13,17H,3-4,7-8,10H2,1-2H3,(H,18,19)
InChIKeySZALZCUAYUPTIA-UHFFFAOYSA-N
XLogP2.73
TPSA67.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-[1-(ethylamino)-2-(1-methoxycyclobutyl)ethyl]-3H-1,3-benzoxazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[1-(ethylamino)-2-(1-methoxycyclobutyl)ethyl]-1,3-dihydroindol-2-one
CID 103556239
6-[1-(ethylamino)-3,4,4-trimethylpentyl]-3H-1,3-benzoxazol-2-one
CID 63832546
N-ethyl-2-(1-methoxycyclobutyl)-1-phenylethanamine
CID 103556215
1-(3-bromo-4-methoxyphenyl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine
CID 103556204
N-ethyl-1-(3-fluoro-4-methoxyphenyl)-2-(1-methoxycyclobutyl)ethanamine
CID 103556253
1-(3-chlorophenyl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine
CID 103559092
6-[(2,2-dimethylcyclopropyl)-(ethylamino)methyl]-3H-1,3-benzoxazol-2-one
CID 107001061
N-ethyl-1-(furan-3-yl)-2-(1-methoxycyclobutyl)ethanamine
CID 103559311
1-(3-bromo-4-ethoxyphenyl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine
CID 103556510
N-ethyl-2-(1-methoxycyclobutyl)-1-(3-propan-2-yloxyphenyl)ethanamine
CID 103559672
6-[2-chloro-1-(methylamino)ethyl]-3H-1,3-benzoxazol-2-one
CID 116952665
6-[ethylamino-(5-methylfuran-3-yl)methyl]-3H-1,3-benzoxazol-2-one
CID 114820019

Frequently Asked Questions

What is the IUPAC name of 6-[1-(ethylamino)-2-(1-methoxycyclobutyl)ethyl]-3H-1,3-benzoxazol-2-one?
The IUPAC name of 6-[1-(ethylamino)-2-(1-methoxycyclobutyl)ethyl]-3H-1,3-benzoxazol-2-one (CID 103556245) is 6-[1-(ethylamino)-2-(1-methoxycyclobutyl)ethyl]-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-[1-(ethylamino)-2-(1-methoxycyclobutyl)ethyl]-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 6-[1-(ethylamino)-2-(1-methoxycyclobutyl)ethyl]-3H-1,3-benzoxazol-2-one is CCNC(CC1(OC)CCC1)c1ccc2[nH]c(=O)oc2c1.
What is the InChIKey of 6-[1-(ethylamino)-2-(1-methoxycyclobutyl)ethyl]-3H-1,3-benzoxazol-2-one?
The InChIKey is SZALZCUAYUPTIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-3-17-13(10-16(20-2)7-4-8-16)11-5-6-12-14(9-11)21-15(19)18-12/h5-6,9,13,17H,3-4,7-8,10H2,1-2H3,(H,18,19).
What are the key properties of 6-[1-(ethylamino)-2-(1-methoxycyclobutyl)ethyl]-3H-1,3-benzoxazol-2-one?
6-[1-(ethylamino)-2-(1-methoxycyclobutyl)ethyl]-3H-1,3-benzoxazol-2-one has a molecular weight of 290.36 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(ethylamino)-2-(1-methoxycyclobutyl)ethyl]-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 103556245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).