5-(methoxymethyl)-N-[[(2S,3S)-1-methyl-2-phenylpiperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide

C19H25N3O3 — CID 98848048

IUPAC5-(methoxymethyl)-N-[[(2S,3S)-1-methyl-2-phenylpiperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide
SMILESCOCc1cc(C(=O)NC[C@@H]2CCCN(C)[C@@H]2c2ccccc2)no1
InChIInChI=1S/C19H25N3O3/c1-22-10-6-9-15(18(22)14-7-4-3-5-8-14)12-20-19(23)17-11-16(13-24-2)25-21-17/h3-5,7-8,11,15,18H,6,9-10,12-13H2,1-2H3,(H,20,23)/t15-,18+/m0/s1
InChIKeyWKNSBYRYRYBUMV-MAUKXSAKSA-N
MW343.43 g/mol
LogP2.63
Rot. Bonds6

About 5-(methoxymethyl)-N-[[(2S,3S)-1-methyl-2-phenylpiperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide

5-(methoxymethyl)-N-[[(2S,3S)-1-methyl-2-phenylpiperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide (PubChem CID 98848048) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 5-(methoxymethyl)-N-[[(2S,3S)-1-methyl-2-phenylpiperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(methoxymethyl)-N-[[(2S,3S)-1-methyl-2-phenylpiperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide
PubChem CID98848048
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name5-(methoxymethyl)-N-[[(2S,3S)-1-methyl-2-phenylpiperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide
SMILESCOCc1cc(C(=O)NC[C@@H]2CCCN(C)[C@@H]2c2ccccc2)no1
InChIInChI=1S/C19H25N3O3/c1-22-10-6-9-15(18(22)14-7-4-3-5-8-14)12-20-19(23)17-11-16(13-24-2)25-21-17/h3-5,7-8,11,15,18H,6,9-10,12-13H2,1-2H3,(H,20,23)/t15-,18+/m0/s1
InChIKeyWKNSBYRYRYBUMV-MAUKXSAKSA-N
XLogP2.63
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-N-[[(2S,3S)-1-methyl-2-phenylpiperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(methoxymethyl)-N-[[(2S,3S)-1-methyl-2-phenylpiperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide (CID 98848048) is 5-(methoxymethyl)-N-[[(2S,3S)-1-methyl-2-phenylpiperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(methoxymethyl)-N-[[(2S,3S)-1-methyl-2-phenylpiperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(methoxymethyl)-N-[[(2S,3S)-1-methyl-2-phenylpiperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide is COCc1cc(C(=O)NC[C@@H]2CCCN(C)[C@@H]2c2ccccc2)no1.
What is the InChIKey of 5-(methoxymethyl)-N-[[(2S,3S)-1-methyl-2-phenylpiperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is WKNSBYRYRYBUMV-MAUKXSAKSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-22-10-6-9-15(18(22)14-7-4-3-5-8-14)12-20-19(23)17-11-16(13-24-2)25-21-17/h3-5,7-8,11,15,18H,6,9-10,12-13H2,1-2H3,(H,20,23)/t15-,18+/m0/s1.
What are the key properties of 5-(methoxymethyl)-N-[[(2S,3S)-1-methyl-2-phenylpiperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide?
5-(methoxymethyl)-N-[[(2S,3S)-1-methyl-2-phenylpiperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-N-[[(2S,3S)-1-methyl-2-phenylpiperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 98848048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).