N-[(2S)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-5-methyl-1,2-oxazole-3-carboxamide

C15H18N2O5 — CID 99780009

IUPACN-[(2S)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCOc1ccc([C@H](O)CNC(=O)c2cc(C)on2)cc1OC
InChIInChI=1S/C15H18N2O5/c1-9-6-11(17-22-9)15(19)16-8-12(18)10-4-5-13(20-2)14(7-10)21-3/h4-7,12,18H,8H2,1-3H3,(H,16,19)/t12-/m1/s1
InChIKeyKUJHXZZEYSIZHH-GFCCVEGCSA-N
MW306.32 g/mol
LogP1.46
Rot. Bonds6

About N-[(2S)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-5-methyl-1,2-oxazole-3-carboxamide

N-[(2S)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 99780009) has the molecular formula C15H18N2O5 and a molecular weight of 306.32 g/mol. Its IUPAC name is N-[(2S)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID99780009
Molecular FormulaC15H18N2O5
Molecular Weight306.32 g/mol
Exact Mass306.12
IUPAC NameN-[(2S)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCOc1ccc([C@H](O)CNC(=O)c2cc(C)on2)cc1OC
InChIInChI=1S/C15H18N2O5/c1-9-6-11(17-22-9)15(19)16-8-12(18)10-4-5-13(20-2)14(7-10)21-3/h4-7,12,18H,8H2,1-3H3,(H,16,19)/t12-/m1/s1
InChIKeyKUJHXZZEYSIZHH-GFCCVEGCSA-N
XLogP1.46
TPSA93.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 110279895
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2,5-dimethylbenzamide
CID 72717717
5-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]-1,2-oxazole-3-carboxamide
CID 60593102
4-chloro-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]benzamide
CID 90613299
N-[2-[4-(furan-2-yl)phenyl]-2-hydroxyethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 126850888
3-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 90613410
N-[(2R)-2-hydroxypropyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 83030687
N-[(2S)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3-fluoro-4-methoxybenzamide
CID 99903135
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2-fluorobenzamide
CID 90613273
N-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 6930395
N-[(2R)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]thiophene-3-carboxamide
CID 99903101
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3,4-diethoxybenzamide
CID 90613391

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(2S)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-5-methyl-1,2-oxazole-3-carboxamide (CID 99780009) is N-[(2S)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(2S)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(2S)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-5-methyl-1,2-oxazole-3-carboxamide is COc1ccc([C@H](O)CNC(=O)c2cc(C)on2)cc1OC.
What is the InChIKey of N-[(2S)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is KUJHXZZEYSIZHH-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H18N2O5/c1-9-6-11(17-22-9)15(19)16-8-12(18)10-4-5-13(20-2)14(7-10)21-3/h4-7,12,18H,8H2,1-3H3,(H,16,19)/t12-/m1/s1.
What are the key properties of N-[(2S)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-5-methyl-1,2-oxazole-3-carboxamide?
N-[(2S)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 306.32 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 99780009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).