2-(diethylamino)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]acetamide

C13H23N3O2 — CID 51050537

IUPAC2-(diethylamino)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]acetamide
SMILESCCCc1cc(CNC(=O)CN(CC)CC)on1
InChIInChI=1S/C13H23N3O2/c1-4-7-11-8-12(18-15-11)9-14-13(17)10-16(5-2)6-3/h8H,4-7,9-10H2,1-3H3,(H,14,17)
InChIKeyFBJMHBZVMYPBGU-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.59
Rot. Bonds8

About 2-(diethylamino)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]acetamide

2-(diethylamino)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]acetamide (PubChem CID 51050537) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-(diethylamino)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(diethylamino)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]acetamide
PubChem CID51050537
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name2-(diethylamino)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]acetamide
SMILESCCCc1cc(CNC(=O)CN(CC)CC)on1
InChIInChI=1S/C13H23N3O2/c1-4-7-11-8-12(18-15-11)9-14-13(17)10-16(5-2)6-3/h8H,4-7,9-10H2,1-3H3,(H,14,17)
InChIKeyFBJMHBZVMYPBGU-UHFFFAOYSA-N
XLogP1.59
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-5-propyl-3-isoxazolecarboxamide
CID 5307570
(S)-3-Methyl-5-(pyrrolidin-2-yl)isoxazole
CID 10057702
(R)-3-Methyl-5-(pyrrolidin-2-yl)isoxazole
CID 10130056
(2S)-2-[3-Ethylisoxazol-5-yl]pyrrolidine
CID 10261449
(R)-3-Ethyl-5-(pyrrolidin-2-yl)isoxazole
CID 10352051
3-Methyl-5-(pyrrolidin-2-yl)-1,2-oxazole
CID 15186065
5-Methyl-3-(pyrrolidin-2-yl)-1,2-oxazole
CID 25220780
N-(Butan-2-YL)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 5307751
3-Methyl-N-propylisoxazole-5-carboxamide
CID 9551512
2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-[(3-isopropylisoxazol-5-yl)methyl]acetamide
CID 16189217
5-[(2R)-1-methylpyrrolidin-2-yl]-3-propyl-1,2-oxazole
CID 44359068
(2R)-2,4-dihydroxy-3,3-dimethyl-N-[(5-pentyl-1,2-oxazol-3-yl)methyl]butanamide
CID 164616236

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]acetamide?
The IUPAC name of 2-(diethylamino)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]acetamide (CID 51050537) is 2-(diethylamino)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-(diethylamino)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]acetamide?
The canonical SMILES for 2-(diethylamino)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]acetamide is CCCc1cc(CNC(=O)CN(CC)CC)on1.
What is the InChIKey of 2-(diethylamino)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]acetamide?
The InChIKey is FBJMHBZVMYPBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-4-7-11-8-12(18-15-11)9-14-13(17)10-16(5-2)6-3/h8H,4-7,9-10H2,1-3H3,(H,14,17).
What are the key properties of 2-(diethylamino)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]acetamide?
2-(diethylamino)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]acetamide has a molecular weight of 253.35 g/mol, XLogP of 1.59, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]acetamide is sourced from PubChem (CID 51050537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).