5-(aminomethyl)-3-[(1-ethylindazol-3-yl)methyl]-1,3-oxazolidin-2-one

C14H18N4O2 — CID 115944267

IUPAC5-(aminomethyl)-3-[(1-ethylindazol-3-yl)methyl]-1,3-oxazolidin-2-one
SMILESCCn1nc(CN2CC(CN)OC2=O)c2ccccc21
InChIInChI=1S/C14H18N4O2/c1-2-18-13-6-4-3-5-11(13)12(16-18)9-17-8-10(7-15)20-14(17)19/h3-6,10H,2,7-9,15H2,1H3
InChIKeyYHMQKJHENANSCB-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.34
Rot. Bonds4

About 5-(aminomethyl)-3-[(1-ethylindazol-3-yl)methyl]-1,3-oxazolidin-2-one

5-(aminomethyl)-3-[(1-ethylindazol-3-yl)methyl]-1,3-oxazolidin-2-one (PubChem CID 115944267) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 5-(aminomethyl)-3-[(1-ethylindazol-3-yl)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(aminomethyl)-3-[(1-ethylindazol-3-yl)methyl]-1,3-oxazolidin-2-one
PubChem CID115944267
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name5-(aminomethyl)-3-[(1-ethylindazol-3-yl)methyl]-1,3-oxazolidin-2-one
SMILESCCn1nc(CN2CC(CN)OC2=O)c2ccccc21
InChIInChI=1S/C14H18N4O2/c1-2-18-13-6-4-3-5-11(13)12(16-18)9-17-8-10(7-15)20-14(17)19/h3-6,10H,2,7-9,15H2,1H3
InChIKeyYHMQKJHENANSCB-UHFFFAOYSA-N
XLogP1.34
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-[(1-ethylindazol-3-yl)methyl]pyrrolidin-3-amine
CID 113282469
1-[(1-ethylindazol-3-yl)methyl]-4-methylpyrrolidin-3-amine
CID 103577247
5-(aminomethyl)-3-[(2-methoxyphenyl)methyl]-1,3-oxazolidin-2-one
CID 75365946
5-(aminomethyl)-3-[(3-methylphenyl)methyl]-1,3-oxazolidin-2-one
CID 82023087
5-(aminomethyl)-3-[(6-methyl-2-pyridinyl)methyl]-1,3-oxazolidin-2-one
CID 112594217
4-[(1-ethylindazol-3-yl)methyl]morpholine-2-carboximidamide
CID 79671003
5-(aminomethyl)-3-[(1-butan-2-ylpyrazol-3-yl)methyl]-1,3-oxazolidin-2-one
CID 112594280
[1-[(1-ethylindazol-3-yl)methyl]cyclopropyl]methanamine
CID 66026848
1-ethyl-3-[[(3S)-3-methylpiperazin-1-yl]methyl]indazole
CID 104881355
1-[(1-ethylindazol-3-yl)methyl]cyclopropan-1-amine
CID 66025770
2-[1-[(1-ethylindazol-3-yl)methyl]piperidin-4-yl]acetamide
CID 136532272
5-cyclopropyl-1-[(1-ethylindazol-3-yl)methyl]triazol-4-amine
CID 79537391

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-3-[(1-ethylindazol-3-yl)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-(aminomethyl)-3-[(1-ethylindazol-3-yl)methyl]-1,3-oxazolidin-2-one (CID 115944267) is 5-(aminomethyl)-3-[(1-ethylindazol-3-yl)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(aminomethyl)-3-[(1-ethylindazol-3-yl)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(aminomethyl)-3-[(1-ethylindazol-3-yl)methyl]-1,3-oxazolidin-2-one is CCn1nc(CN2CC(CN)OC2=O)c2ccccc21.
What is the InChIKey of 5-(aminomethyl)-3-[(1-ethylindazol-3-yl)methyl]-1,3-oxazolidin-2-one?
The InChIKey is YHMQKJHENANSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-2-18-13-6-4-3-5-11(13)12(16-18)9-17-8-10(7-15)20-14(17)19/h3-6,10H,2,7-9,15H2,1H3.
What are the key properties of 5-(aminomethyl)-3-[(1-ethylindazol-3-yl)methyl]-1,3-oxazolidin-2-one?
5-(aminomethyl)-3-[(1-ethylindazol-3-yl)methyl]-1,3-oxazolidin-2-one has a molecular weight of 274.32 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-3-[(1-ethylindazol-3-yl)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 115944267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).