3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl-propan-2-ylamino]propan-1-ol

C15H21N3O2 — CID 62020853

IUPAC3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl-propan-2-ylamino]propan-1-ol
SMILESCC(C)N(CCCO)Cc1noc(-c2ccccc2)n1
InChIInChI=1S/C15H21N3O2/c1-12(2)18(9-6-10-19)11-14-16-15(20-17-14)13-7-4-3-5-8-13/h3-5,7-8,12,19H,6,9-11H2,1-2H3
InChIKeyAXHLHULCTUETTM-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.33
Rot. Bonds7

About 3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl-propan-2-ylamino]propan-1-ol

3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl-propan-2-ylamino]propan-1-ol (PubChem CID 62020853) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl-propan-2-ylamino]propan-1-ol.

Molecular Properties

Compound Name3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl-propan-2-ylamino]propan-1-ol
PubChem CID62020853
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl-propan-2-ylamino]propan-1-ol
SMILESCC(C)N(CCCO)Cc1noc(-c2ccccc2)n1
InChIInChI=1S/C15H21N3O2/c1-12(2)18(9-6-10-19)11-14-16-15(20-17-14)13-7-4-3-5-8-13/h3-5,7-8,12,19H,6,9-11H2,1-2H3
InChIKeyAXHLHULCTUETTM-UHFFFAOYSA-N
XLogP2.33
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl-propan-2-ylamino]acetic acid
CID 60839651
3-[ethyl-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]amino]propan-1-ol
CID 115666486
2-[(2-methoxyphenyl)methyl-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol
CID 110932771
3-ethyl-5-phenyl-1,2,4-oxadiazole
CID 20678688
3-[propan-2-yl-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]propanoic acid
CID 60833768
2-amino-3-methyl-4-(5-phenyl-1,2,4-oxadiazol-3-yl)butan-1-ol;hydrochloride
CID 67586069
2-[tert-butyl-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]amino]acetic acid
CID 79263003
2-[ethyl-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]amino]-2-methylpropanoic acid
CID 62819926
3-(methoxymethyl)-5-phenyl-1,2,4-oxadiazole
CID 59009688
N-methyl-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-4-propan-2-ylbenzenesulfonamide
CID 53055823
(5-phenyl-1,2,4-oxadiazol-3-yl)methanesulfinic acid
CID 59944372
N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-N-propylazetidin-3-amine
CID 66215112

Frequently Asked Questions

What is the IUPAC name of 3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl-propan-2-ylamino]propan-1-ol?
The IUPAC name of 3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl-propan-2-ylamino]propan-1-ol (CID 62020853) is 3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl-propan-2-ylamino]propan-1-ol.
What is the SMILES notation for 3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl-propan-2-ylamino]propan-1-ol?
The canonical SMILES for 3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl-propan-2-ylamino]propan-1-ol is CC(C)N(CCCO)Cc1noc(-c2ccccc2)n1.
What is the InChIKey of 3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl-propan-2-ylamino]propan-1-ol?
The InChIKey is AXHLHULCTUETTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-12(2)18(9-6-10-19)11-14-16-15(20-17-14)13-7-4-3-5-8-13/h3-5,7-8,12,19H,6,9-11H2,1-2H3.
What are the key properties of 3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl-propan-2-ylamino]propan-1-ol?
3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl-propan-2-ylamino]propan-1-ol has a molecular weight of 275.35 g/mol, XLogP of 2.33, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl-propan-2-ylamino]propan-1-ol is sourced from PubChem (CID 62020853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).