1-[3-[2-(methylamino)-1,3-oxazol-5-yl]phenyl]cyclopropan-1-ol

C13H14N2O2 — CID 123432172

IUPAC1-[3-[2-(methylamino)-1,3-oxazol-5-yl]phenyl]cyclopropan-1-ol
SMILESCNc1ncc(-c2cccc(C3(O)CC3)c2)o1
InChIInChI=1S/C13H14N2O2/c1-14-12-15-8-11(17-12)9-3-2-4-10(7-9)13(16)5-6-13/h2-4,7-8,16H,5-6H2,1H3,(H,14,15)
InChIKeyTZGMTOLHSPMQBX-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.36
Rot. Bonds3

About 1-[3-[2-(methylamino)-1,3-oxazol-5-yl]phenyl]cyclopropan-1-ol

1-[3-[2-(methylamino)-1,3-oxazol-5-yl]phenyl]cyclopropan-1-ol (PubChem CID 123432172) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 1-[3-[2-(methylamino)-1,3-oxazol-5-yl]phenyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[3-[2-(methylamino)-1,3-oxazol-5-yl]phenyl]cyclopropan-1-ol
PubChem CID123432172
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name1-[3-[2-(methylamino)-1,3-oxazol-5-yl]phenyl]cyclopropan-1-ol
SMILESCNc1ncc(-c2cccc(C3(O)CC3)c2)o1
InChIInChI=1S/C13H14N2O2/c1-14-12-15-8-11(17-12)9-3-2-4-10(7-9)13(16)5-6-13/h2-4,7-8,16H,5-6H2,1H3,(H,14,15)
InChIKeyTZGMTOLHSPMQBX-UHFFFAOYSA-N
XLogP2.36
TPSA58.29 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 ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(methylamino)-1,3-oxazol-5-yl]phenyl]cyclopropan-1-ol?
The IUPAC name of 1-[3-[2-(methylamino)-1,3-oxazol-5-yl]phenyl]cyclopropan-1-ol (CID 123432172) is 1-[3-[2-(methylamino)-1,3-oxazol-5-yl]phenyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[3-[2-(methylamino)-1,3-oxazol-5-yl]phenyl]cyclopropan-1-ol?
The canonical SMILES for 1-[3-[2-(methylamino)-1,3-oxazol-5-yl]phenyl]cyclopropan-1-ol is CNc1ncc(-c2cccc(C3(O)CC3)c2)o1.
What is the InChIKey of 1-[3-[2-(methylamino)-1,3-oxazol-5-yl]phenyl]cyclopropan-1-ol?
The InChIKey is TZGMTOLHSPMQBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-14-12-15-8-11(17-12)9-3-2-4-10(7-9)13(16)5-6-13/h2-4,7-8,16H,5-6H2,1H3,(H,14,15).
What are the key properties of 1-[3-[2-(methylamino)-1,3-oxazol-5-yl]phenyl]cyclopropan-1-ol?
1-[3-[2-(methylamino)-1,3-oxazol-5-yl]phenyl]cyclopropan-1-ol has a molecular weight of 230.27 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(methylamino)-1,3-oxazol-5-yl]phenyl]cyclopropan-1-ol is sourced from PubChem (CID 123432172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).