4-[(2R)-2-amino-2-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]ethyl]phenol

C14H15N5O2 — CID 104905732

IUPAC4-[(2R)-2-amino-2-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]ethyl]phenol
SMILESCn1cc(-c2noc([C@H](N)Cc3ccc(O)cc3)n2)cn1
InChIInChI=1S/C14H15N5O2/c1-19-8-10(7-16-19)13-17-14(21-18-13)12(15)6-9-2-4-11(20)5-3-9/h2-5,7-8,12,20H,6,15H2,1H3/t12-/m1/s1
InChIKeyHIRMVMAGXSNACK-GFCCVEGCSA-N
MW285.31 g/mol
LogP1.42
Rot. Bonds4

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

4-[(2R)-2-amino-2-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]ethyl]phenol (PubChem CID 104905732) has the molecular formula C14H15N5O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is 4-[(2R)-2-amino-2-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]ethyl]phenol.

Molecular Properties

Compound Name4-[(2R)-2-amino-2-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]ethyl]phenol
PubChem CID104905732
Molecular FormulaC14H15N5O2
Molecular Weight285.31 g/mol
Exact Mass285.12
IUPAC Name4-[(2R)-2-amino-2-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]ethyl]phenol
SMILESCn1cc(-c2noc([C@H](N)Cc3ccc(O)cc3)n2)cn1
InChIInChI=1S/C14H15N5O2/c1-19-8-10(7-16-19)13-17-14(21-18-13)12(15)6-9-2-4-11(20)5-3-9/h2-5,7-8,12,20H,6,15H2,1H3/t12-/m1/s1
InChIKeyHIRMVMAGXSNACK-GFCCVEGCSA-N
XLogP1.42
TPSA102.99 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[(2S)-2-amino-2-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]ethyl]phenol
CID 104905731
(1R)-1-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 103832488
(R)-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
CID 103832490
2-methyl-1-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 65196341
(S)-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
CID 103832487
4-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]phenol
CID 135966775
5-(diethoxymethyl)-3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole
CID 65197961
4-[(2R)-2-amino-2-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]phenol
CID 104905807
3-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]butan-2-one
CID 65197908
(1S)-2-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 2512349
N-methyl-3-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 65197557
4-[(2R)-2-amino-2-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]phenol
CID 104905819

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-amino-2-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]ethyl]phenol?
The IUPAC name of 4-[(2R)-2-amino-2-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]ethyl]phenol (CID 104905732) is 4-[(2R)-2-amino-2-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]ethyl]phenol.
What is the SMILES notation for 4-[(2R)-2-amino-2-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]ethyl]phenol?
The canonical SMILES for 4-[(2R)-2-amino-2-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]ethyl]phenol is Cn1cc(-c2noc([C@H](N)Cc3ccc(O)cc3)n2)cn1.
What is the InChIKey of 4-[(2R)-2-amino-2-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]ethyl]phenol?
The InChIKey is HIRMVMAGXSNACK-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H15N5O2/c1-19-8-10(7-16-19)13-17-14(21-18-13)12(15)6-9-2-4-11(20)5-3-9/h2-5,7-8,12,20H,6,15H2,1H3/t12-/m1/s1.
What are the key properties of 4-[(2R)-2-amino-2-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]ethyl]phenol?
4-[(2R)-2-amino-2-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]ethyl]phenol has a molecular weight of 285.31 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2-amino-2-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]ethyl]phenol is sourced from PubChem (CID 104905732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).