(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]butanamide

C19H26N2O5 — CID 52510455

IUPAC(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]butanamide
SMILESCC[C@H](C(=O)Nc1ccc(OC)c(OCCOC)c1)c1c(C)noc1C
InChIInChI=1S/C19H26N2O5/c1-6-15(18-12(2)21-26-13(18)3)19(22)20-14-7-8-16(24-5)17(11-14)25-10-9-23-4/h7-8,11,15H,6,9-10H2,1-5H3,(H,20,22)/t15-/m0/s1
InChIKeyQSNKEXICYJEQRO-HNNXBMFYSA-N
MW362.43 g/mol
LogP3.46
Rot. Bonds9

About (2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]butanamide

(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]butanamide (PubChem CID 52510455) has the molecular formula C19H26N2O5 and a molecular weight of 362.43 g/mol. Its IUPAC name is (2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]butanamide.

Molecular Properties

Compound Name(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]butanamide
PubChem CID52510455
Molecular FormulaC19H26N2O5
Molecular Weight362.43 g/mol
Exact Mass362.18
IUPAC Name(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]butanamide
SMILESCC[C@H](C(=O)Nc1ccc(OC)c(OCCOC)c1)c1c(C)noc1C
InChIInChI=1S/C19H26N2O5/c1-6-15(18-12(2)21-26-13(18)3)19(22)20-14-7-8-16(24-5)17(11-14)25-10-9-23-4/h7-8,11,15H,6,9-10H2,1-5H3,(H,20,22)/t15-/m0/s1
InChIKeyQSNKEXICYJEQRO-HNNXBMFYSA-N
XLogP3.46
TPSA82.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]propanamide
CID 119289355
N-(3,4-dimethoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 1245318
(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-methoxyphenyl)methyl]butanamide
CID 95977617
2-(4-chloro-2-methylphenoxy)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]propanamide
CID 55624317
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-methyl-1,2-oxazol-3-yl)butanamide
CID 132970595
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]piperidine-3-carboxamide
CID 55624392
(2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(4-ethoxy-3-methoxyphenyl)propanamide
CID 8531006
N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-2-phenylbutanamide
CID 43068285
N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-2-methoxypropanamide
CID 112547835
N'-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)butanoyl]benzohydrazide
CID 95977615
2,6-dichloro-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]pyridine-4-carboxamide
CID 86930838
1-ethyl-3-[4-methoxy-3-(2-methoxyethoxy)phenyl]-1-[(2S)-3-methylbutan-2-yl]urea
CID 95198688

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]butanamide?
The IUPAC name of (2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]butanamide (CID 52510455) is (2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]butanamide.
What is the SMILES notation for (2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]butanamide?
The canonical SMILES for (2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]butanamide is CC[C@H](C(=O)Nc1ccc(OC)c(OCCOC)c1)c1c(C)noc1C.
What is the InChIKey of (2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]butanamide?
The InChIKey is QSNKEXICYJEQRO-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H26N2O5/c1-6-15(18-12(2)21-26-13(18)3)19(22)20-14-7-8-16(24-5)17(11-14)25-10-9-23-4/h7-8,11,15H,6,9-10H2,1-5H3,(H,20,22)/t15-/m0/s1.
What are the key properties of (2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]butanamide?
(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]butanamide has a molecular weight of 362.43 g/mol, XLogP of 3.46, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]butanamide is sourced from PubChem (CID 52510455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).