4-phenyl-N-propan-2-yl-1,3-oxazol-2-amine

C12H14N2O — CID 71633051

IUPAC4-phenyl-N-propan-2-yl-1,3-oxazol-2-amine
SMILESCC(C)Nc1nc(-c2ccccc2)co1
InChIInChI=1S/C12H14N2O/c1-9(2)13-12-14-11(8-15-12)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,13,14)
InChIKeyXIGQDTPOJFJCFX-UHFFFAOYSA-N
MW202.26 g/mol
LogP3.16
Rot. Bonds3

About 4-phenyl-N-propan-2-yl-1,3-oxazol-2-amine

4-phenyl-N-propan-2-yl-1,3-oxazol-2-amine (PubChem CID 71633051) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 4-phenyl-N-propan-2-yl-1,3-oxazol-2-amine.

Molecular Properties

Compound Name4-phenyl-N-propan-2-yl-1,3-oxazol-2-amine
PubChem CID71633051
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name4-phenyl-N-propan-2-yl-1,3-oxazol-2-amine
SMILESCC(C)Nc1nc(-c2ccccc2)co1
InChIInChI=1S/C12H14N2O/c1-9(2)13-12-14-11(8-15-12)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,13,14)
InChIKeyXIGQDTPOJFJCFX-UHFFFAOYSA-N
XLogP3.16
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-propan-2-yl-1,3-oxazol-2-amine?
The IUPAC name of 4-phenyl-N-propan-2-yl-1,3-oxazol-2-amine (CID 71633051) is 4-phenyl-N-propan-2-yl-1,3-oxazol-2-amine.
What is the SMILES notation for 4-phenyl-N-propan-2-yl-1,3-oxazol-2-amine?
The canonical SMILES for 4-phenyl-N-propan-2-yl-1,3-oxazol-2-amine is CC(C)Nc1nc(-c2ccccc2)co1.
What is the InChIKey of 4-phenyl-N-propan-2-yl-1,3-oxazol-2-amine?
The InChIKey is XIGQDTPOJFJCFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-9(2)13-12-14-11(8-15-12)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,13,14).
What are the key properties of 4-phenyl-N-propan-2-yl-1,3-oxazol-2-amine?
4-phenyl-N-propan-2-yl-1,3-oxazol-2-amine has a molecular weight of 202.26 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-propan-2-yl-1,3-oxazol-2-amine is sourced from PubChem (CID 71633051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).