4-ethoxy-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]butanamide

C19H26N2O3 — CID 51106000

IUPAC4-ethoxy-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]butanamide
SMILESCCOCCCC(=O)N(C)CCCc1cc(-c2ccccc2)no1
InChIInChI=1S/C19H26N2O3/c1-3-23-14-8-12-19(22)21(2)13-7-11-17-15-18(20-24-17)16-9-5-4-6-10-16/h4-6,9-10,15H,3,7-8,11-14H2,1-2H3
InChIKeyFMSPJTNSGVCPPH-UHFFFAOYSA-N
MW330.43 g/mol
LogP3.55
Rot. Bonds10

About 4-ethoxy-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]butanamide

4-ethoxy-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]butanamide (PubChem CID 51106000) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 4-ethoxy-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]butanamide.

Molecular Properties

Compound Name4-ethoxy-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]butanamide
PubChem CID51106000
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name4-ethoxy-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]butanamide
SMILESCCOCCCC(=O)N(C)CCCc1cc(-c2ccccc2)no1
InChIInChI=1S/C19H26N2O3/c1-3-23-14-8-12-19(22)21(2)13-7-11-17-15-18(20-24-17)16-9-5-4-6-10-16/h4-6,9-10,15H,3,7-8,11-14H2,1-2H3
InChIKeyFMSPJTNSGVCPPH-UHFFFAOYSA-N
XLogP3.55
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-aminophenyl)-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]propanamide;hydrochloride
CID 120610036
4-[methyl-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]amino]butanoic acid
CID 119135167
N-methyl-2-(4-methylpyrazol-1-yl)-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]acetamide
CID 51106001
1-amino-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]cyclopropane-1-carboxamide
CID 119758810
(2S)-2-(cyclopropylmethoxy)-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]propanamide
CID 95280776
4-(3-phenyl-1,2-oxazol-5-yl)butanoic acid
CID 102036434
2-amino-N-methyl-N-[5-(3-phenyl-1,2-oxazol-5-yl)pentyl]pentanamide
CID 119314299
N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]-2-thiomorpholin-3-ylacetamide
CID 119938140
N-methyl-N-[5-(3-phenyl-1,2-oxazol-5-yl)pentyl]piperidine-4-carboxamide;hydrochloride
CID 119314286
4-(methoxymethyl)-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]piperidine-4-carboxamide
CID 120628071
N-methyl-2-phenyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]-2-pyrrolidin-1-ylacetamide
CID 56513346
2-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]acetamide
CID 97185208

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]butanamide?
The IUPAC name of 4-ethoxy-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]butanamide (CID 51106000) is 4-ethoxy-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]butanamide.
What is the SMILES notation for 4-ethoxy-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]butanamide?
The canonical SMILES for 4-ethoxy-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]butanamide is CCOCCCC(=O)N(C)CCCc1cc(-c2ccccc2)no1.
What is the InChIKey of 4-ethoxy-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]butanamide?
The InChIKey is FMSPJTNSGVCPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-3-23-14-8-12-19(22)21(2)13-7-11-17-15-18(20-24-17)16-9-5-4-6-10-16/h4-6,9-10,15H,3,7-8,11-14H2,1-2H3.
What are the key properties of 4-ethoxy-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]butanamide?
4-ethoxy-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]butanamide has a molecular weight of 330.43 g/mol, XLogP of 3.55, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]butanamide is sourced from PubChem (CID 51106000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).