N-hexyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]cyclopropanecarboxamide

C15H23N3O3 — CID 5064786

IUPACN-hexyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]cyclopropanecarboxamide
SMILESCCCCCCN(CC(=O)Nc1ccon1)C(=O)C1CC1
InChIInChI=1S/C15H23N3O3/c1-2-3-4-5-9-18(15(20)12-6-7-12)11-14(19)16-13-8-10-21-17-13/h8,10,12H,2-7,9,11H2,1H3,(H,16,17,19)
InChIKeyMESABEKYNAQUSL-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.43
Rot. Bonds9

About N-hexyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]cyclopropanecarboxamide

N-hexyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]cyclopropanecarboxamide (PubChem CID 5064786) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-hexyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-hexyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]cyclopropanecarboxamide
PubChem CID5064786
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC NameN-hexyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]cyclopropanecarboxamide
SMILESCCCCCCN(CC(=O)Nc1ccon1)C(=O)C1CC1
InChIInChI=1S/C15H23N3O3/c1-2-3-4-5-9-18(15(20)12-6-7-12)11-14(19)16-13-8-10-21-17-13/h8,10,12H,2-7,9,11H2,1H3,(H,16,17,19)
InChIKeyMESABEKYNAQUSL-UHFFFAOYSA-N
XLogP2.43
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propylcyclopentanecarboxamide
CID 42769032
N-(3-methylbutyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]cyclopropanecarboxamide
CID 4087473
N-(3-ethoxypropyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]cyclopentanecarboxamide
CID 42771710
N-hexyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]heptanamide
CID 42663984
2-[ethylcarbamoyl(hexyl)amino]-N-(1,2-oxazol-3-yl)acetamide
CID 3628865
N-hexyl-2,2-dimethyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]propanamide
CID 42769041
N-butyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]nonanamide
CID 4075259
N-butyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]heptanamide
CID 42663973
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propyltetradecanamide
CID 42664167
4-butyl-N-hexyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide
CID 3705087
N-hexyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]cyclohexanecarboxamide
CID 42768823
N-(3-methoxypropyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]heptanamide
CID 42771642

Frequently Asked Questions

What is the IUPAC name of N-hexyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]cyclopropanecarboxamide?
The IUPAC name of N-hexyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]cyclopropanecarboxamide (CID 5064786) is N-hexyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-hexyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]cyclopropanecarboxamide?
The canonical SMILES for N-hexyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]cyclopropanecarboxamide is CCCCCCN(CC(=O)Nc1ccon1)C(=O)C1CC1.
What is the InChIKey of N-hexyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]cyclopropanecarboxamide?
The InChIKey is MESABEKYNAQUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-2-3-4-5-9-18(15(20)12-6-7-12)11-14(19)16-13-8-10-21-17-13/h8,10,12H,2-7,9,11H2,1H3,(H,16,17,19).
What are the key properties of N-hexyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]cyclopropanecarboxamide?
N-hexyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]cyclopropanecarboxamide has a molecular weight of 293.37 g/mol, XLogP of 2.43, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]cyclopropanecarboxamide is sourced from PubChem (CID 5064786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).