2-amino-5-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]phenol

C14H17N3O3 — CID 80691509

IUPAC2-amino-5-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]phenol
SMILESCC1(c2noc(-c3ccc(N)c(O)c3)n2)CCCCO1
InChIInChI=1S/C14H17N3O3/c1-14(6-2-3-7-19-14)13-16-12(20-17-13)9-4-5-10(15)11(18)8-9/h4-5,8,18H,2-3,6-7,15H2,1H3
InChIKeyKONDPFDNEMFASZ-UHFFFAOYSA-N
MW275.31 g/mol
LogP2.44
Rot. Bonds2

About 2-amino-5-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]phenol

2-amino-5-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 80691509) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-amino-5-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name2-amino-5-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]phenol
PubChem CID80691509
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name2-amino-5-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]phenol
SMILESCC1(c2noc(-c3ccc(N)c(O)c3)n2)CCCCO1
InChIInChI=1S/C14H17N3O3/c1-14(6-2-3-7-19-14)13-16-12(20-17-13)9-4-5-10(15)11(18)8-9/h4-5,8,18H,2-3,6-7,15H2,1H3
InChIKeyKONDPFDNEMFASZ-UHFFFAOYSA-N
XLogP2.44
TPSA94.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 2-amino-5-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(2,3-dihydro-1H-isoindol-5-yl)-3-(2-methyloxan-2-yl)-1,2,4-oxadiazole
CID 103999555
4-methoxy-2-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 115411911
2-amino-6-[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 136712766
2-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 104743065
[4-[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine
CID 114324977
3-methoxy-4-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 107209258
4-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]benzene-1,2-diol
CID 136904519
4,5-dimethyl-3-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 80691354
4-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline
CID 116741607
2-amino-4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136872367
5-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol
CID 104612057
4-[2-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]aniline
CID 115340405

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 2-amino-5-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]phenol (CID 80691509) is 2-amino-5-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 2-amino-5-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 2-amino-5-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]phenol is CC1(c2noc(-c3ccc(N)c(O)c3)n2)CCCCO1.
What is the InChIKey of 2-amino-5-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is KONDPFDNEMFASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-14(6-2-3-7-19-14)13-16-12(20-17-13)9-4-5-10(15)11(18)8-9/h4-5,8,18H,2-3,6-7,15H2,1H3.
What are the key properties of 2-amino-5-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]phenol?
2-amino-5-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]phenol has a molecular weight of 275.31 g/mol, XLogP of 2.44, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 80691509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).