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

C14H14N2O2S — CID 43492554

IUPAC6-[ethylamino(thiophen-2-yl)methyl]-3H-1,3-benzoxazol-2-one
SMILESCCNC(c1ccc2[nH]c(=O)oc2c1)c1cccs1
InChIInChI=1S/C14H14N2O2S/c1-2-15-13(12-4-3-7-19-12)9-5-6-10-11(8-9)18-14(17)16-10/h3-8,13,15H,2H2,1H3,(H,16,17)
InChIKeyJUNBWOKRGSQOPX-UHFFFAOYSA-N
MW274.35 g/mol
LogP2.88
Rot. Bonds4

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

6-[ethylamino(thiophen-2-yl)methyl]-3H-1,3-benzoxazol-2-one (PubChem CID 43492554) has the molecular formula C14H14N2O2S and a molecular weight of 274.35 g/mol. Its IUPAC name is 6-[ethylamino(thiophen-2-yl)methyl]-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-[ethylamino(thiophen-2-yl)methyl]-3H-1,3-benzoxazol-2-one
PubChem CID43492554
Molecular FormulaC14H14N2O2S
Molecular Weight274.35 g/mol
Exact Mass274.08
IUPAC Name6-[ethylamino(thiophen-2-yl)methyl]-3H-1,3-benzoxazol-2-one
SMILESCCNC(c1ccc2[nH]c(=O)oc2c1)c1cccs1
InChIInChI=1S/C14H14N2O2S/c1-2-15-13(12-4-3-7-19-12)9-5-6-10-11(8-9)18-14(17)16-10/h3-8,13,15H,2H2,1H3,(H,16,17)
InChIKeyJUNBWOKRGSQOPX-UHFFFAOYSA-N
XLogP2.88
TPSA58.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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-[(3-chloro-4-methylthiophen-2-yl)-(ethylamino)methyl]-3H-1,3-benzoxazol-2-one
CID 103400841
5-[propylamino(thiophen-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 43496016
6-[furan-2-yl(methylamino)methyl]-3H-1,3-benzoxazol-2-one
CID 43486043
6-[1-(ethylamino)-3,4,4-trimethylpentyl]-3H-1,3-benzoxazol-2-one
CID 63832546
6-[(2,2-dimethylcyclopropyl)-(ethylamino)methyl]-3H-1,3-benzoxazol-2-one
CID 107001061
N-[(5-methylthiophen-3-yl)-thiophen-2-ylmethyl]ethanamine
CID 65104955
N-[2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]ethanamine
CID 43416858
N-[(4-propylphenyl)-thiophen-2-ylmethyl]ethanamine
CID 43393768
N-[(4-phenylphenyl)-thiophen-2-ylmethyl]ethanamine
CID 43489570
6-(1-hydroxybutyl)-3H-1,3-benzoxazol-2-one
CID 61089511

Frequently Asked Questions

What is the IUPAC name of 6-[ethylamino(thiophen-2-yl)methyl]-3H-1,3-benzoxazol-2-one?
The IUPAC name of 6-[ethylamino(thiophen-2-yl)methyl]-3H-1,3-benzoxazol-2-one (CID 43492554) is 6-[ethylamino(thiophen-2-yl)methyl]-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-[ethylamino(thiophen-2-yl)methyl]-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 6-[ethylamino(thiophen-2-yl)methyl]-3H-1,3-benzoxazol-2-one is CCNC(c1ccc2[nH]c(=O)oc2c1)c1cccs1.
What is the InChIKey of 6-[ethylamino(thiophen-2-yl)methyl]-3H-1,3-benzoxazol-2-one?
The InChIKey is JUNBWOKRGSQOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S/c1-2-15-13(12-4-3-7-19-12)9-5-6-10-11(8-9)18-14(17)16-10/h3-8,13,15H,2H2,1H3,(H,16,17).
What are the key properties of 6-[ethylamino(thiophen-2-yl)methyl]-3H-1,3-benzoxazol-2-one?
6-[ethylamino(thiophen-2-yl)methyl]-3H-1,3-benzoxazol-2-one has a molecular weight of 274.35 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[ethylamino(thiophen-2-yl)methyl]-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 43492554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).