4,4-dimethyl-2-(1-phenylcyclopropyl)-5H-1,3-oxazole

C14H17NO — CID 86092664

IUPAC4,4-dimethyl-2-(1-phenylcyclopropyl)-5H-1,3-oxazole
SMILESCC1(C)COC(C2(c3ccccc3)CC2)=N1
InChIInChI=1S/C14H17NO/c1-13(2)10-16-12(15-13)14(8-9-14)11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3
InChIKeyAKLCVFFPHXPXPB-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.93
Rot. Bonds2

About 4,4-dimethyl-2-(1-phenylcyclopropyl)-5H-1,3-oxazole

4,4-dimethyl-2-(1-phenylcyclopropyl)-5H-1,3-oxazole (PubChem CID 86092664) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 4,4-dimethyl-2-(1-phenylcyclopropyl)-5H-1,3-oxazole.

Molecular Properties

Compound Name4,4-dimethyl-2-(1-phenylcyclopropyl)-5H-1,3-oxazole
PubChem CID86092664
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name4,4-dimethyl-2-(1-phenylcyclopropyl)-5H-1,3-oxazole
SMILESCC1(C)COC(C2(c3ccccc3)CC2)=N1
InChIInChI=1S/C14H17NO/c1-13(2)10-16-12(15-13)14(8-9-14)11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3
InChIKeyAKLCVFFPHXPXPB-UHFFFAOYSA-N
XLogP2.93
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-(1-phenylcyclopropyl)-5H-1,3-oxazole?
The IUPAC name of 4,4-dimethyl-2-(1-phenylcyclopropyl)-5H-1,3-oxazole (CID 86092664) is 4,4-dimethyl-2-(1-phenylcyclopropyl)-5H-1,3-oxazole.
What is the SMILES notation for 4,4-dimethyl-2-(1-phenylcyclopropyl)-5H-1,3-oxazole?
The canonical SMILES for 4,4-dimethyl-2-(1-phenylcyclopropyl)-5H-1,3-oxazole is CC1(C)COC(C2(c3ccccc3)CC2)=N1.
What is the InChIKey of 4,4-dimethyl-2-(1-phenylcyclopropyl)-5H-1,3-oxazole?
The InChIKey is AKLCVFFPHXPXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-13(2)10-16-12(15-13)14(8-9-14)11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3.
What are the key properties of 4,4-dimethyl-2-(1-phenylcyclopropyl)-5H-1,3-oxazole?
4,4-dimethyl-2-(1-phenylcyclopropyl)-5H-1,3-oxazole has a molecular weight of 215.30 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-(1-phenylcyclopropyl)-5H-1,3-oxazole is sourced from PubChem (CID 86092664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).