3-[2-[5-(1-methylpyrazol-4-yl)-4-phenylimidazol-1-yl]ethyl]-1,3-oxazinan-2-one

C19H21N5O2 — CID 50971510

IUPAC3-[2-[5-(1-methylpyrazol-4-yl)-4-phenylimidazol-1-yl]ethyl]-1,3-oxazinan-2-one
SMILESCn1cc(-c2c(-c3ccccc3)ncn2CCN2CCCOC2=O)cn1
InChIInChI=1S/C19H21N5O2/c1-22-13-16(12-21-22)18-17(15-6-3-2-4-7-15)20-14-24(18)10-9-23-8-5-11-26-19(23)25/h2-4,6-7,12-14H,5,8-11H2,1H3
InChIKeyZSMQUTSJWZJETE-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.79
Rot. Bonds5

About 3-[2-[5-(1-methylpyrazol-4-yl)-4-phenylimidazol-1-yl]ethyl]-1,3-oxazinan-2-one

3-[2-[5-(1-methylpyrazol-4-yl)-4-phenylimidazol-1-yl]ethyl]-1,3-oxazinan-2-one (PubChem CID 50971510) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 3-[2-[5-(1-methylpyrazol-4-yl)-4-phenylimidazol-1-yl]ethyl]-1,3-oxazinan-2-one.

Molecular Properties

Compound Name3-[2-[5-(1-methylpyrazol-4-yl)-4-phenylimidazol-1-yl]ethyl]-1,3-oxazinan-2-one
PubChem CID50971510
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name3-[2-[5-(1-methylpyrazol-4-yl)-4-phenylimidazol-1-yl]ethyl]-1,3-oxazinan-2-one
SMILESCn1cc(-c2c(-c3ccccc3)ncn2CCN2CCCOC2=O)cn1
InChIInChI=1S/C19H21N5O2/c1-22-13-16(12-21-22)18-17(15-6-3-2-4-7-15)20-14-24(18)10-9-23-8-5-11-26-19(23)25/h2-4,6-7,12-14H,5,8-11H2,1H3
InChIKeyZSMQUTSJWZJETE-UHFFFAOYSA-N
XLogP2.79
TPSA65.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[5-(1-methylpyrazol-4-yl)-4-phenylimidazol-1-yl]ethyl]-1,3-oxazinan-2-one?
The IUPAC name of 3-[2-[5-(1-methylpyrazol-4-yl)-4-phenylimidazol-1-yl]ethyl]-1,3-oxazinan-2-one (CID 50971510) is 3-[2-[5-(1-methylpyrazol-4-yl)-4-phenylimidazol-1-yl]ethyl]-1,3-oxazinan-2-one.
What is the SMILES notation for 3-[2-[5-(1-methylpyrazol-4-yl)-4-phenylimidazol-1-yl]ethyl]-1,3-oxazinan-2-one?
The canonical SMILES for 3-[2-[5-(1-methylpyrazol-4-yl)-4-phenylimidazol-1-yl]ethyl]-1,3-oxazinan-2-one is Cn1cc(-c2c(-c3ccccc3)ncn2CCN2CCCOC2=O)cn1.
What is the InChIKey of 3-[2-[5-(1-methylpyrazol-4-yl)-4-phenylimidazol-1-yl]ethyl]-1,3-oxazinan-2-one?
The InChIKey is ZSMQUTSJWZJETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-22-13-16(12-21-22)18-17(15-6-3-2-4-7-15)20-14-24(18)10-9-23-8-5-11-26-19(23)25/h2-4,6-7,12-14H,5,8-11H2,1H3.
What are the key properties of 3-[2-[5-(1-methylpyrazol-4-yl)-4-phenylimidazol-1-yl]ethyl]-1,3-oxazinan-2-one?
3-[2-[5-(1-methylpyrazol-4-yl)-4-phenylimidazol-1-yl]ethyl]-1,3-oxazinan-2-one has a molecular weight of 351.41 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[5-(1-methylpyrazol-4-yl)-4-phenylimidazol-1-yl]ethyl]-1,3-oxazinan-2-one is sourced from PubChem (CID 50971510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).