bis[5-(aminomethyl)-1,2-oxazol-3-yl]methanol

C9H12N4O3 — CID 68936184

IUPACbis[5-(aminomethyl)-1,2-oxazol-3-yl]methanol
SMILESNCc1cc(C(O)c2cc(CN)on2)no1
InChIInChI=1S/C9H12N4O3/c10-3-5-1-7(12-15-5)9(14)8-2-6(4-11)16-13-8/h1-2,9,14H,3-4,10-11H2
InChIKeyDHTDXLHKUBSWAX-UHFFFAOYSA-N
MW224.22 g/mol
LogP-0.34
Rot. Bonds4

About bis[5-(aminomethyl)-1,2-oxazol-3-yl]methanol

bis[5-(aminomethyl)-1,2-oxazol-3-yl]methanol (PubChem CID 68936184) has the molecular formula C9H12N4O3 and a molecular weight of 224.22 g/mol. Its IUPAC name is bis[5-(aminomethyl)-1,2-oxazol-3-yl]methanol.

Molecular Properties

Compound Namebis[5-(aminomethyl)-1,2-oxazol-3-yl]methanol
PubChem CID68936184
Molecular FormulaC9H12N4O3
Molecular Weight224.22 g/mol
Exact Mass224.09
IUPAC Namebis[5-(aminomethyl)-1,2-oxazol-3-yl]methanol
SMILESNCc1cc(C(O)c2cc(CN)on2)no1
InChIInChI=1S/C9H12N4O3/c10-3-5-1-7(12-15-5)9(14)8-2-6(4-11)16-13-8/h1-2,9,14H,3-4,10-11H2
InChIKeyDHTDXLHKUBSWAX-UHFFFAOYSA-N
XLogP-0.34
TPSA124.33 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of bis[5-(aminomethyl)-1,2-oxazol-3-yl]methanol?
The IUPAC name of bis[5-(aminomethyl)-1,2-oxazol-3-yl]methanol (CID 68936184) is bis[5-(aminomethyl)-1,2-oxazol-3-yl]methanol.
What is the SMILES notation for bis[5-(aminomethyl)-1,2-oxazol-3-yl]methanol?
The canonical SMILES for bis[5-(aminomethyl)-1,2-oxazol-3-yl]methanol is NCc1cc(C(O)c2cc(CN)on2)no1.
What is the InChIKey of bis[5-(aminomethyl)-1,2-oxazol-3-yl]methanol?
The InChIKey is DHTDXLHKUBSWAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O3/c10-3-5-1-7(12-15-5)9(14)8-2-6(4-11)16-13-8/h1-2,9,14H,3-4,10-11H2.
What are the key properties of bis[5-(aminomethyl)-1,2-oxazol-3-yl]methanol?
bis[5-(aminomethyl)-1,2-oxazol-3-yl]methanol has a molecular weight of 224.22 g/mol, XLogP of -0.34, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis[5-(aminomethyl)-1,2-oxazol-3-yl]methanol is sourced from PubChem (CID 68936184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).