4-[2-[1-(aminomethyl)cyclopropyl]-1,3-oxazol-4-yl]phenol

C13H14N2O2 — CID 105487728

IUPAC4-[2-[1-(aminomethyl)cyclopropyl]-1,3-oxazol-4-yl]phenol
SMILESNCC1(c2nc(-c3ccc(O)cc3)co2)CC1
InChIInChI=1S/C13H14N2O2/c14-8-13(5-6-13)12-15-11(7-17-12)9-1-3-10(16)4-2-9/h1-4,7,16H,5-6,8,14H2
InChIKeyQQZMYKBIQOJZFC-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.04
Rot. Bonds3

About 4-[2-[1-(aminomethyl)cyclopropyl]-1,3-oxazol-4-yl]phenol

4-[2-[1-(aminomethyl)cyclopropyl]-1,3-oxazol-4-yl]phenol (PubChem CID 105487728) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 4-[2-[1-(aminomethyl)cyclopropyl]-1,3-oxazol-4-yl]phenol.

Molecular Properties

Compound Name4-[2-[1-(aminomethyl)cyclopropyl]-1,3-oxazol-4-yl]phenol
PubChem CID105487728
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name4-[2-[1-(aminomethyl)cyclopropyl]-1,3-oxazol-4-yl]phenol
SMILESNCC1(c2nc(-c3ccc(O)cc3)co2)CC1
InChIInChI=1S/C13H14N2O2/c14-8-13(5-6-13)12-15-11(7-17-12)9-1-3-10(16)4-2-9/h1-4,7,16H,5-6,8,14H2
InChIKeyQQZMYKBIQOJZFC-UHFFFAOYSA-N
XLogP2.04
TPSA72.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[1-(aminomethyl)cyclopropyl]-1,3-oxazol-4-yl]phenol?
The IUPAC name of 4-[2-[1-(aminomethyl)cyclopropyl]-1,3-oxazol-4-yl]phenol (CID 105487728) is 4-[2-[1-(aminomethyl)cyclopropyl]-1,3-oxazol-4-yl]phenol.
What is the SMILES notation for 4-[2-[1-(aminomethyl)cyclopropyl]-1,3-oxazol-4-yl]phenol?
The canonical SMILES for 4-[2-[1-(aminomethyl)cyclopropyl]-1,3-oxazol-4-yl]phenol is NCC1(c2nc(-c3ccc(O)cc3)co2)CC1.
What is the InChIKey of 4-[2-[1-(aminomethyl)cyclopropyl]-1,3-oxazol-4-yl]phenol?
The InChIKey is QQZMYKBIQOJZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c14-8-13(5-6-13)12-15-11(7-17-12)9-1-3-10(16)4-2-9/h1-4,7,16H,5-6,8,14H2.
What are the key properties of 4-[2-[1-(aminomethyl)cyclopropyl]-1,3-oxazol-4-yl]phenol?
4-[2-[1-(aminomethyl)cyclopropyl]-1,3-oxazol-4-yl]phenol has a molecular weight of 230.27 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[1-(aminomethyl)cyclopropyl]-1,3-oxazol-4-yl]phenol is sourced from PubChem (CID 105487728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).