[3-[(2-ethylimidazol-1-yl)methyl]azetidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone

C19H20N4O2 — CID 163351672

IUPAC[3-[(2-ethylimidazol-1-yl)methyl]azetidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
SMILESCCc1nccn1CC1CN(C(=O)c2cc(-c3ccccc3)on2)C1
InChIInChI=1S/C19H20N4O2/c1-2-18-20-8-9-22(18)11-14-12-23(13-14)19(24)16-10-17(25-21-16)15-6-4-3-5-7-15/h3-10,14H,2,11-13H2,1H3
InChIKeyHBUXTDMPZHFWOS-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.87
Rot. Bonds5

About [3-[(2-ethylimidazol-1-yl)methyl]azetidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone

[3-[(2-ethylimidazol-1-yl)methyl]azetidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone (PubChem CID 163351672) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is [3-[(2-ethylimidazol-1-yl)methyl]azetidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name[3-[(2-ethylimidazol-1-yl)methyl]azetidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
PubChem CID163351672
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name[3-[(2-ethylimidazol-1-yl)methyl]azetidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
SMILESCCc1nccn1CC1CN(C(=O)c2cc(-c3ccccc3)on2)C1
InChIInChI=1S/C19H20N4O2/c1-2-18-20-8-9-22(18)11-14-12-23(13-14)19(24)16-10-17(25-21-16)15-6-4-3-5-7-15/h3-10,14H,2,11-13H2,1H3
InChIKeyHBUXTDMPZHFWOS-UHFFFAOYSA-N
XLogP2.87
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[(2-ethylimidazol-1-yl)methyl]azetidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone?
The IUPAC name of [3-[(2-ethylimidazol-1-yl)methyl]azetidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone (CID 163351672) is [3-[(2-ethylimidazol-1-yl)methyl]azetidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for [3-[(2-ethylimidazol-1-yl)methyl]azetidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for [3-[(2-ethylimidazol-1-yl)methyl]azetidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone is CCc1nccn1CC1CN(C(=O)c2cc(-c3ccccc3)on2)C1.
What is the InChIKey of [3-[(2-ethylimidazol-1-yl)methyl]azetidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone?
The InChIKey is HBUXTDMPZHFWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-2-18-20-8-9-22(18)11-14-12-23(13-14)19(24)16-10-17(25-21-16)15-6-4-3-5-7-15/h3-10,14H,2,11-13H2,1H3.
What are the key properties of [3-[(2-ethylimidazol-1-yl)methyl]azetidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone?
[3-[(2-ethylimidazol-1-yl)methyl]azetidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone has a molecular weight of 336.40 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-ethylimidazol-1-yl)methyl]azetidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 163351672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).