4-(2-aminoethyl)-N-(1,2-oxazol-3-ylmethyl)heptanamide

C13H23N3O2 — CID 81170886

IUPAC4-(2-aminoethyl)-N-(1,2-oxazol-3-ylmethyl)heptanamide
SMILESCCCC(CCN)CCC(=O)NCc1ccon1
InChIInChI=1S/C13H23N3O2/c1-2-3-11(6-8-14)4-5-13(17)15-10-12-7-9-18-16-12/h7,9,11H,2-6,8,10,14H2,1H3,(H,15,17)
InChIKeyJDTNPQOYYNNJNM-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.84
Rot. Bonds9

About 4-(2-aminoethyl)-N-(1,2-oxazol-3-ylmethyl)heptanamide

4-(2-aminoethyl)-N-(1,2-oxazol-3-ylmethyl)heptanamide (PubChem CID 81170886) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-(1,2-oxazol-3-ylmethyl)heptanamide.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-(1,2-oxazol-3-ylmethyl)heptanamide
PubChem CID81170886
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name4-(2-aminoethyl)-N-(1,2-oxazol-3-ylmethyl)heptanamide
SMILESCCCC(CCN)CCC(=O)NCc1ccon1
InChIInChI=1S/C13H23N3O2/c1-2-3-11(6-8-14)4-5-13(17)15-10-12-7-9-18-16-12/h7,9,11H,2-6,8,10,14H2,1H3,(H,15,17)
InChIKeyJDTNPQOYYNNJNM-UHFFFAOYSA-N
XLogP1.84
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,2-oxazol-3-ylmethyl)-4-oxopentanamide
CID 79493303
3-(ethylamino)-N-(1,2-oxazol-3-ylmethyl)propanamide
CID 81170893
4-(methylamino)-N-(1,2-oxazol-3-ylmethyl)butanamide
CID 81170882
ethyl 2-(1,2-oxazol-3-ylmethylamino)pentanoate
CID 79502591
2-(methylamino)-N-(1,2-oxazol-3-ylmethyl)acetamide
CID 81171210
2-[[(6-amino-4-ethylhexanoyl)amino]methyl]pyridine-4-carboxylic acid
CID 114324704
2-amino-N-[2-(1,2-oxazol-3-ylmethylamino)-2-oxoethyl]acetamide;hydrochloride
CID 167874068
1-(1,2-oxazol-3-ylmethyl)-3-propylurea
CID 115672343
2-amino-2-methyl-N-(1,2-oxazol-3-ylmethyl)pentanamide
CID 81171219
3-amino-2-methoxy-N-(1,2-oxazol-3-ylmethyl)propanamide
CID 106113222
2-methyl-4-(1,2-oxazol-3-ylmethylamino)-4-oxo-2-propan-2-ylbutanoic acid
CID 81170966
1-amino-3-(1,2-oxazol-3-ylmethyl)urea
CID 81177768

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-(1,2-oxazol-3-ylmethyl)heptanamide?
The IUPAC name of 4-(2-aminoethyl)-N-(1,2-oxazol-3-ylmethyl)heptanamide (CID 81170886) is 4-(2-aminoethyl)-N-(1,2-oxazol-3-ylmethyl)heptanamide.
What is the SMILES notation for 4-(2-aminoethyl)-N-(1,2-oxazol-3-ylmethyl)heptanamide?
The canonical SMILES for 4-(2-aminoethyl)-N-(1,2-oxazol-3-ylmethyl)heptanamide is CCCC(CCN)CCC(=O)NCc1ccon1.
What is the InChIKey of 4-(2-aminoethyl)-N-(1,2-oxazol-3-ylmethyl)heptanamide?
The InChIKey is JDTNPQOYYNNJNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-2-3-11(6-8-14)4-5-13(17)15-10-12-7-9-18-16-12/h7,9,11H,2-6,8,10,14H2,1H3,(H,15,17).
What are the key properties of 4-(2-aminoethyl)-N-(1,2-oxazol-3-ylmethyl)heptanamide?
4-(2-aminoethyl)-N-(1,2-oxazol-3-ylmethyl)heptanamide has a molecular weight of 253.35 g/mol, XLogP of 1.84, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N-(1,2-oxazol-3-ylmethyl)heptanamide is sourced from PubChem (CID 81170886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).