[5-[2-(dimethylamino)ethyl]-1,3-oxazol-2-yl]-phenylmethanone

C14H16N2O2 — CID 141219969

IUPAC[5-[2-(dimethylamino)ethyl]-1,3-oxazol-2-yl]-phenylmethanone
SMILESCN(C)CCc1cnc(C(=O)c2ccccc2)o1
InChIInChI=1S/C14H16N2O2/c1-16(2)9-8-12-10-15-14(18-12)13(17)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
InChIKeyQRUZJXDUSDIPJN-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.01
Rot. Bonds5

About [5-[2-(dimethylamino)ethyl]-1,3-oxazol-2-yl]-phenylmethanone

[5-[2-(dimethylamino)ethyl]-1,3-oxazol-2-yl]-phenylmethanone (PubChem CID 141219969) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is [5-[2-(dimethylamino)ethyl]-1,3-oxazol-2-yl]-phenylmethanone.

Molecular Properties

Compound Name[5-[2-(dimethylamino)ethyl]-1,3-oxazol-2-yl]-phenylmethanone
PubChem CID141219969
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name[5-[2-(dimethylamino)ethyl]-1,3-oxazol-2-yl]-phenylmethanone
SMILESCN(C)CCc1cnc(C(=O)c2ccccc2)o1
InChIInChI=1S/C14H16N2O2/c1-16(2)9-8-12-10-15-14(18-12)13(17)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
InChIKeyQRUZJXDUSDIPJN-UHFFFAOYSA-N
XLogP2.01
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-[2-(dimethylamino)ethyl]-1,3-oxazol-2-yl]-phenylmethanone?
The IUPAC name of [5-[2-(dimethylamino)ethyl]-1,3-oxazol-2-yl]-phenylmethanone (CID 141219969) is [5-[2-(dimethylamino)ethyl]-1,3-oxazol-2-yl]-phenylmethanone.
What is the SMILES notation for [5-[2-(dimethylamino)ethyl]-1,3-oxazol-2-yl]-phenylmethanone?
The canonical SMILES for [5-[2-(dimethylamino)ethyl]-1,3-oxazol-2-yl]-phenylmethanone is CN(C)CCc1cnc(C(=O)c2ccccc2)o1.
What is the InChIKey of [5-[2-(dimethylamino)ethyl]-1,3-oxazol-2-yl]-phenylmethanone?
The InChIKey is QRUZJXDUSDIPJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-16(2)9-8-12-10-15-14(18-12)13(17)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3.
What are the key properties of [5-[2-(dimethylamino)ethyl]-1,3-oxazol-2-yl]-phenylmethanone?
[5-[2-(dimethylamino)ethyl]-1,3-oxazol-2-yl]-phenylmethanone has a molecular weight of 244.29 g/mol, XLogP of 2.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-(dimethylamino)ethyl]-1,3-oxazol-2-yl]-phenylmethanone is sourced from PubChem (CID 141219969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).