(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(3-phenoxy-1-propan-2-ylazetidin-2-yl)piperidin-1-yl]methanone

C23H31N3O3 — CID 171142540

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(3-phenoxy-1-propan-2-ylazetidin-2-yl)piperidin-1-yl]methanone
SMILESCc1noc(C)c1C(=O)N1CCC(C2C(Oc3ccccc3)CN2C(C)C)CC1
InChIInChI=1S/C23H31N3O3/c1-15(2)26-14-20(28-19-8-6-5-7-9-19)22(26)18-10-12-25(13-11-18)23(27)21-16(3)24-29-17(21)4/h5-9,15,18,20,22H,10-14H2,1-4H3
InChIKeyMLEPIXJCVPKIHL-UHFFFAOYSA-N
MW397.52 g/mol
LogP3.68
Rot. Bonds5

About (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(3-phenoxy-1-propan-2-ylazetidin-2-yl)piperidin-1-yl]methanone

(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(3-phenoxy-1-propan-2-ylazetidin-2-yl)piperidin-1-yl]methanone (PubChem CID 171142540) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(3-phenoxy-1-propan-2-ylazetidin-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(3-phenoxy-1-propan-2-ylazetidin-2-yl)piperidin-1-yl]methanone
PubChem CID171142540
Molecular FormulaC23H31N3O3
Molecular Weight397.52 g/mol
Exact Mass397.24
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(3-phenoxy-1-propan-2-ylazetidin-2-yl)piperidin-1-yl]methanone
SMILESCc1noc(C)c1C(=O)N1CCC(C2C(Oc3ccccc3)CN2C(C)C)CC1
InChIInChI=1S/C23H31N3O3/c1-15(2)26-14-20(28-19-8-6-5-7-9-19)22(26)18-10-12-25(13-11-18)23(27)21-16(3)24-29-17(21)4/h5-9,15,18,20,22H,10-14H2,1-4H3
InChIKeyMLEPIXJCVPKIHL-UHFFFAOYSA-N
XLogP3.68
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(3-phenoxy-1-propan-2-ylazetidin-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(3-phenoxy-1-propan-2-ylazetidin-2-yl)piperidin-1-yl]methanone (CID 171142540) is (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(3-phenoxy-1-propan-2-ylazetidin-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(3-phenoxy-1-propan-2-ylazetidin-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(3-phenoxy-1-propan-2-ylazetidin-2-yl)piperidin-1-yl]methanone is Cc1noc(C)c1C(=O)N1CCC(C2C(Oc3ccccc3)CN2C(C)C)CC1.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(3-phenoxy-1-propan-2-ylazetidin-2-yl)piperidin-1-yl]methanone?
The InChIKey is MLEPIXJCVPKIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3/c1-15(2)26-14-20(28-19-8-6-5-7-9-19)22(26)18-10-12-25(13-11-18)23(27)21-16(3)24-29-17(21)4/h5-9,15,18,20,22H,10-14H2,1-4H3.
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(3-phenoxy-1-propan-2-ylazetidin-2-yl)piperidin-1-yl]methanone?
(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(3-phenoxy-1-propan-2-ylazetidin-2-yl)piperidin-1-yl]methanone has a molecular weight of 397.52 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(3-phenoxy-1-propan-2-ylazetidin-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 171142540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).