N-butyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]heptanamide

C16H27N3O3 — CID 42663973

IUPACN-butyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]heptanamide
SMILESCCCCCCC(=O)N(CCCC)CC(=O)Nc1ccon1
InChIInChI=1S/C16H27N3O3/c1-3-5-7-8-9-16(21)19(11-6-4-2)13-15(20)17-14-10-12-22-18-14/h10,12H,3-9,11,13H2,1-2H3,(H,17,18,20)
InChIKeyURBRDXPDAWXWNO-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.21
Rot. Bonds11

About N-butyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]heptanamide

N-butyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]heptanamide (PubChem CID 42663973) has the molecular formula C16H27N3O3 and a molecular weight of 309.41 g/mol. Its IUPAC name is N-butyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]heptanamide.

Molecular Properties

Compound NameN-butyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]heptanamide
PubChem CID42663973
Molecular FormulaC16H27N3O3
Molecular Weight309.41 g/mol
Exact Mass309.21
IUPAC NameN-butyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]heptanamide
SMILESCCCCCCC(=O)N(CCCC)CC(=O)Nc1ccon1
InChIInChI=1S/C16H27N3O3/c1-3-5-7-8-9-16(21)19(11-6-4-2)13-15(20)17-14-10-12-22-18-14/h10,12H,3-9,11,13H2,1-2H3,(H,17,18,20)
InChIKeyURBRDXPDAWXWNO-UHFFFAOYSA-N
XLogP3.21
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.21
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-butyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]nonanamide
CID 4075259
N-hexyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]heptanamide
CID 42663984
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propyltetradecanamide
CID 42664167
N-(3-methoxypropyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]heptanamide
CID 42771642
N-(2-methoxyethyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]nonanamide
CID 5176062
N-(3-ethoxypropyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]hexanamide
CID 4080850
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-prop-2-enylheptanamide
CID 42769068
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(2-pyrrolidin-1-ylethyl)nonanamide
CID 4582164
N-(2-methoxyethyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]pentanamide
CID 42769137
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-(cyclohexylmethyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]nonanamide
CID 3517609

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]heptanamide?
The IUPAC name of N-butyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]heptanamide (CID 42663973) is N-butyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]heptanamide.
What is the SMILES notation for N-butyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]heptanamide?
The canonical SMILES for N-butyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]heptanamide is CCCCCCC(=O)N(CCCC)CC(=O)Nc1ccon1.
What is the InChIKey of N-butyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]heptanamide?
The InChIKey is URBRDXPDAWXWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3/c1-3-5-7-8-9-16(21)19(11-6-4-2)13-15(20)17-14-10-12-22-18-14/h10,12H,3-9,11,13H2,1-2H3,(H,17,18,20).
What are the key properties of N-butyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]heptanamide?
N-butyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]heptanamide has a molecular weight of 309.41 g/mol, XLogP of 3.21, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]heptanamide is sourced from PubChem (CID 42663973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).