N-(5-methyl-1,2-oxazol-3-yl)-3-[methyl(3-phenoxypropyl)amino]propanamide

C17H23N3O3 — CID 37119026

IUPACN-(5-methyl-1,2-oxazol-3-yl)-3-[methyl(3-phenoxypropyl)amino]propanamide
SMILESCc1cc(NC(=O)CCN(C)CCCOc2ccccc2)no1
InChIInChI=1S/C17H23N3O3/c1-14-13-16(19-23-14)18-17(21)9-11-20(2)10-6-12-22-15-7-4-3-5-8-15/h3-5,7-8,13H,6,9-12H2,1-2H3,(H,18,19,21)
InChIKeyOMCOPRGKFSSUQQ-UHFFFAOYSA-N
MW317.39 g/mol
LogP2.71
Rot. Bonds9

About N-(5-methyl-1,2-oxazol-3-yl)-3-[methyl(3-phenoxypropyl)amino]propanamide

N-(5-methyl-1,2-oxazol-3-yl)-3-[methyl(3-phenoxypropyl)amino]propanamide (PubChem CID 37119026) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-3-[methyl(3-phenoxypropyl)amino]propanamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-3-[methyl(3-phenoxypropyl)amino]propanamide
PubChem CID37119026
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-3-[methyl(3-phenoxypropyl)amino]propanamide
SMILESCc1cc(NC(=O)CCN(C)CCCOc2ccccc2)no1
InChIInChI=1S/C17H23N3O3/c1-14-13-16(19-23-14)18-17(21)9-11-20(2)10-6-12-22-15-7-4-3-5-8-15/h3-5,7-8,13H,6,9-12H2,1-2H3,(H,18,19,21)
InChIKeyOMCOPRGKFSSUQQ-UHFFFAOYSA-N
XLogP2.71
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(4-fluorophenoxy)propyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 37454270
3-[methyl-[2-(3-methylphenoxy)ethyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 35799350
N-(5-methyl-1,2-oxazol-3-yl)-3-(3-phenoxypropanoylamino)propanamide
CID 110370366
1-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1-(2-phenoxyethyl)urea
CID 18101657
3-[methyl-[2-(2-methylphenoxy)ethyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 35799341
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(3-phenoxypropanoylamino)propanamide
CID 112507061
N-(5-methyl-1,2-oxazol-3-yl)-3-[4-(2-phenoxyethyl)piperazin-1-yl]propanamide
CID 78792894
N-(5-methyl-1,2-oxazol-3-yl)-3-[(2-phenoxyacetyl)amino]propanamide
CID 110370363
3-[methyl-[3-(4-phenoxyphenoxy)propyl]amino]propanoic acid
CID 11823669
2-[2-(3-chlorophenoxy)ethyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 17448221
phenyl N-(5-methyl-1,2-oxazol-3-yl)carbamate
CID 4519264
N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]acetamide
CID 9259409

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-3-[methyl(3-phenoxypropyl)amino]propanamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-3-[methyl(3-phenoxypropyl)amino]propanamide (CID 37119026) is N-(5-methyl-1,2-oxazol-3-yl)-3-[methyl(3-phenoxypropyl)amino]propanamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-3-[methyl(3-phenoxypropyl)amino]propanamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-3-[methyl(3-phenoxypropyl)amino]propanamide is Cc1cc(NC(=O)CCN(C)CCCOc2ccccc2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-3-[methyl(3-phenoxypropyl)amino]propanamide?
The InChIKey is OMCOPRGKFSSUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-14-13-16(19-23-14)18-17(21)9-11-20(2)10-6-12-22-15-7-4-3-5-8-15/h3-5,7-8,13H,6,9-12H2,1-2H3,(H,18,19,21).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-3-[methyl(3-phenoxypropyl)amino]propanamide?
N-(5-methyl-1,2-oxazol-3-yl)-3-[methyl(3-phenoxypropyl)amino]propanamide has a molecular weight of 317.39 g/mol, XLogP of 2.71, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-3-[methyl(3-phenoxypropyl)amino]propanamide is sourced from PubChem (CID 37119026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).