[4-[(2S)-1-methoxypropan-2-yl]piperazin-1-yl]-(5-methyl-2-phenyl-1,3-oxazol-4-yl)methanone

C19H25N3O3 — CID 95334340

IUPAC[4-[(2S)-1-methoxypropan-2-yl]piperazin-1-yl]-(5-methyl-2-phenyl-1,3-oxazol-4-yl)methanone
SMILESCOC[C@H](C)N1CCN(C(=O)c2nc(-c3ccccc3)oc2C)CC1
InChIInChI=1S/C19H25N3O3/c1-14(13-24-3)21-9-11-22(12-10-21)19(23)17-15(2)25-18(20-17)16-7-5-4-6-8-16/h4-8,14H,9-13H2,1-3H3/t14-/m0/s1
InChIKeyZRYOTXAVUFPKDP-AWEZNQCLSA-N
MW343.43 g/mol
LogP2.44
Rot. Bonds5

About [4-[(2S)-1-methoxypropan-2-yl]piperazin-1-yl]-(5-methyl-2-phenyl-1,3-oxazol-4-yl)methanone

[4-[(2S)-1-methoxypropan-2-yl]piperazin-1-yl]-(5-methyl-2-phenyl-1,3-oxazol-4-yl)methanone (PubChem CID 95334340) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is [4-[(2S)-1-methoxypropan-2-yl]piperazin-1-yl]-(5-methyl-2-phenyl-1,3-oxazol-4-yl)methanone.

Molecular Properties

Compound Name[4-[(2S)-1-methoxypropan-2-yl]piperazin-1-yl]-(5-methyl-2-phenyl-1,3-oxazol-4-yl)methanone
PubChem CID95334340
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name[4-[(2S)-1-methoxypropan-2-yl]piperazin-1-yl]-(5-methyl-2-phenyl-1,3-oxazol-4-yl)methanone
SMILESCOC[C@H](C)N1CCN(C(=O)c2nc(-c3ccccc3)oc2C)CC1
InChIInChI=1S/C19H25N3O3/c1-14(13-24-3)21-9-11-22(12-10-21)19(23)17-15(2)25-18(20-17)16-7-5-4-6-8-16/h4-8,14H,9-13H2,1-3H3/t14-/m0/s1
InChIKeyZRYOTXAVUFPKDP-AWEZNQCLSA-N
XLogP2.44
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[(2S)-1-methoxypropan-2-yl]piperazin-1-yl]-(5-methyl-2-phenyl-1,3-oxazol-4-yl)methanone?
The IUPAC name of [4-[(2S)-1-methoxypropan-2-yl]piperazin-1-yl]-(5-methyl-2-phenyl-1,3-oxazol-4-yl)methanone (CID 95334340) is [4-[(2S)-1-methoxypropan-2-yl]piperazin-1-yl]-(5-methyl-2-phenyl-1,3-oxazol-4-yl)methanone.
What is the SMILES notation for [4-[(2S)-1-methoxypropan-2-yl]piperazin-1-yl]-(5-methyl-2-phenyl-1,3-oxazol-4-yl)methanone?
The canonical SMILES for [4-[(2S)-1-methoxypropan-2-yl]piperazin-1-yl]-(5-methyl-2-phenyl-1,3-oxazol-4-yl)methanone is COC[C@H](C)N1CCN(C(=O)c2nc(-c3ccccc3)oc2C)CC1.
What is the InChIKey of [4-[(2S)-1-methoxypropan-2-yl]piperazin-1-yl]-(5-methyl-2-phenyl-1,3-oxazol-4-yl)methanone?
The InChIKey is ZRYOTXAVUFPKDP-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-14(13-24-3)21-9-11-22(12-10-21)19(23)17-15(2)25-18(20-17)16-7-5-4-6-8-16/h4-8,14H,9-13H2,1-3H3/t14-/m0/s1.
What are the key properties of [4-[(2S)-1-methoxypropan-2-yl]piperazin-1-yl]-(5-methyl-2-phenyl-1,3-oxazol-4-yl)methanone?
[4-[(2S)-1-methoxypropan-2-yl]piperazin-1-yl]-(5-methyl-2-phenyl-1,3-oxazol-4-yl)methanone has a molecular weight of 343.43 g/mol, XLogP of 2.44, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2S)-1-methoxypropan-2-yl]piperazin-1-yl]-(5-methyl-2-phenyl-1,3-oxazol-4-yl)methanone is sourced from PubChem (CID 95334340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).