3-[5-(aminomethyl)-1,3-oxazol-2-yl]propan-1-ol

C7H12N2O2 — CID 115084839

IUPAC3-[5-(aminomethyl)-1,3-oxazol-2-yl]propan-1-ol
SMILESNCc1cnc(CCCO)o1
InChIInChI=1S/C7H12N2O2/c8-4-6-5-9-7(11-6)2-1-3-10/h5,10H,1-4,8H2
InChIKeyGMJJQVOMACAMJC-UHFFFAOYSA-N
MW156.19 g/mol
LogP0.06
Rot. Bonds4

About 3-[5-(aminomethyl)-1,3-oxazol-2-yl]propan-1-ol

3-[5-(aminomethyl)-1,3-oxazol-2-yl]propan-1-ol (PubChem CID 115084839) has the molecular formula C7H12N2O2 and a molecular weight of 156.19 g/mol. Its IUPAC name is 3-[5-(aminomethyl)-1,3-oxazol-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[5-(aminomethyl)-1,3-oxazol-2-yl]propan-1-ol
PubChem CID115084839
Molecular FormulaC7H12N2O2
Molecular Weight156.19 g/mol
Exact Mass156.09
IUPAC Name3-[5-(aminomethyl)-1,3-oxazol-2-yl]propan-1-ol
SMILESNCc1cnc(CCCO)o1
InChIInChI=1S/C7H12N2O2/c8-4-6-5-9-7(11-6)2-1-3-10/h5,10H,1-4,8H2
InChIKeyGMJJQVOMACAMJC-UHFFFAOYSA-N
XLogP0.06
TPSA72.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(2-aminoethyl)-1,3-oxazol-2-yl]ethanol
CID 115084892
3-(5-cycloheptyl-1,3-oxazol-2-yl)propan-1-ol
CID 115034079
2,5-dipentyl-1,3-oxazole
CID 67264472
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propan-1-ol
CID 115042364
3-(5-benzyl-1,3-oxazol-2-yl)propan-1-amine
CID 115004084
3-[5-(cyclobutylmethyl)-1,3-oxazol-2-yl]propan-1-amine
CID 103167128
2-(5-propyl-1,3-oxazol-2-yl)ethanamine
CID 65178585
2-(5-ethyl-1,3-oxazol-2-yl)ethanamine;hydrochloride
CID 66588553
3-[5-[(2-methylpropan-2-yl)oxymethyl]-1,3-oxazol-2-yl]propan-1-amine
CID 112605694
[2-(thiophen-2-ylmethyl)-1,3-oxazol-5-yl]methanamine
CID 115087573
3-[5-(2,3,3-trimethylbutyl)-1,3-oxazol-2-yl]propan-1-amine
CID 65179205
[5-(3-phenylpropyl)-1,3-oxazol-2-yl]methanamine
CID 65180073

Frequently Asked Questions

What is the IUPAC name of 3-[5-(aminomethyl)-1,3-oxazol-2-yl]propan-1-ol?
The IUPAC name of 3-[5-(aminomethyl)-1,3-oxazol-2-yl]propan-1-ol (CID 115084839) is 3-[5-(aminomethyl)-1,3-oxazol-2-yl]propan-1-ol.
What is the SMILES notation for 3-[5-(aminomethyl)-1,3-oxazol-2-yl]propan-1-ol?
The canonical SMILES for 3-[5-(aminomethyl)-1,3-oxazol-2-yl]propan-1-ol is NCc1cnc(CCCO)o1.
What is the InChIKey of 3-[5-(aminomethyl)-1,3-oxazol-2-yl]propan-1-ol?
The InChIKey is GMJJQVOMACAMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c8-4-6-5-9-7(11-6)2-1-3-10/h5,10H,1-4,8H2.
What are the key properties of 3-[5-(aminomethyl)-1,3-oxazol-2-yl]propan-1-ol?
3-[5-(aminomethyl)-1,3-oxazol-2-yl]propan-1-ol has a molecular weight of 156.19 g/mol, XLogP of 0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(aminomethyl)-1,3-oxazol-2-yl]propan-1-ol is sourced from PubChem (CID 115084839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).