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

C17H18N2O2 — CID 43492593

IUPAC6-[ethylamino-(2-methylphenyl)methyl]-3H-1,3-benzoxazol-2-one
SMILESCCNC(c1ccc2[nH]c(=O)oc2c1)c1ccccc1C
InChIInChI=1S/C17H18N2O2/c1-3-18-16(13-7-5-4-6-11(13)2)12-8-9-14-15(10-12)21-17(20)19-14/h4-10,16,18H,3H2,1-2H3,(H,19,20)
InChIKeySUBVMHHUXFFXFW-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.13
Rot. Bonds4

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

6-[ethylamino-(2-methylphenyl)methyl]-3H-1,3-benzoxazol-2-one (PubChem CID 43492593) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 6-[ethylamino-(2-methylphenyl)methyl]-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-[ethylamino-(2-methylphenyl)methyl]-3H-1,3-benzoxazol-2-one
PubChem CID43492593
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name6-[ethylamino-(2-methylphenyl)methyl]-3H-1,3-benzoxazol-2-one
SMILESCCNC(c1ccc2[nH]c(=O)oc2c1)c1ccccc1C
InChIInChI=1S/C17H18N2O2/c1-3-18-16(13-7-5-4-6-11(13)2)12-8-9-14-15(10-12)21-17(20)19-14/h4-10,16,18H,3H2,1-2H3,(H,19,20)
InChIKeySUBVMHHUXFFXFW-UHFFFAOYSA-N
XLogP3.13
TPSA58.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[ethylamino-(5-methylfuran-3-yl)methyl]-3H-1,3-benzoxazol-2-one
CID 114820019
6-[(3-chloro-4-methylthiophen-2-yl)-(ethylamino)methyl]-3H-1,3-benzoxazol-2-one
CID 103400841
6-[ethylamino(thiophen-2-yl)methyl]-3H-1,3-benzoxazol-2-one
CID 43492554
N-[(2-methylphenyl)-naphthalen-2-ylmethyl]ethanamine
CID 63413907
6-[(2-fluoro-3-methylphenyl)-hydroxymethyl]-3H-1,3-benzoxazol-2-one
CID 81477930
6-[(3-chloro-2-methylphenyl)-(methylamino)methyl]-3H-1,3-benzoxazol-2-one
CID 107096405
6-[(2,2-dimethylcyclopropyl)-(ethylamino)methyl]-3H-1,3-benzoxazol-2-one
CID 107001061
6-[(2-ethoxyphenyl)-hydroxymethyl]-3H-1,3-benzoxazol-2-one
CID 61089330
6-[1-(ethylamino)-3,4,4-trimethylpentyl]-3H-1,3-benzoxazol-2-one
CID 63832546
N-[(4-chlorophenyl)-(2-methylphenyl)methyl]ethanamine
CID 43489020
6-[bromo-(2-methylfuran-3-yl)methyl]-3H-1,3-benzoxazol-2-one
CID 61097763
6-[furan-2-yl(methylamino)methyl]-3H-1,3-benzoxazol-2-one
CID 43486043

Frequently Asked Questions

What is the IUPAC name of 6-[ethylamino-(2-methylphenyl)methyl]-3H-1,3-benzoxazol-2-one?
The IUPAC name of 6-[ethylamino-(2-methylphenyl)methyl]-3H-1,3-benzoxazol-2-one (CID 43492593) is 6-[ethylamino-(2-methylphenyl)methyl]-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-[ethylamino-(2-methylphenyl)methyl]-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 6-[ethylamino-(2-methylphenyl)methyl]-3H-1,3-benzoxazol-2-one is CCNC(c1ccc2[nH]c(=O)oc2c1)c1ccccc1C.
What is the InChIKey of 6-[ethylamino-(2-methylphenyl)methyl]-3H-1,3-benzoxazol-2-one?
The InChIKey is SUBVMHHUXFFXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-3-18-16(13-7-5-4-6-11(13)2)12-8-9-14-15(10-12)21-17(20)19-14/h4-10,16,18H,3H2,1-2H3,(H,19,20).
What are the key properties of 6-[ethylamino-(2-methylphenyl)methyl]-3H-1,3-benzoxazol-2-one?
6-[ethylamino-(2-methylphenyl)methyl]-3H-1,3-benzoxazol-2-one has a molecular weight of 282.34 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[ethylamino-(2-methylphenyl)methyl]-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 43492593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).