N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propan-2-yloctanamide

C16H27N3O3 — CID 42769111

IUPACN-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propan-2-yloctanamide
SMILESCCCCCCCC(=O)N(CC(=O)Nc1ccon1)C(C)C
InChIInChI=1S/C16H27N3O3/c1-4-5-6-7-8-9-16(21)19(13(2)3)12-15(20)17-14-10-11-22-18-14/h10-11,13H,4-9,12H2,1-3H3,(H,17,18,20)
InChIKeyHLGJULRTHKKPPT-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.21
Rot. Bonds10

About N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propan-2-yloctanamide

N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propan-2-yloctanamide (PubChem CID 42769111) has the molecular formula C16H27N3O3 and a molecular weight of 309.41 g/mol. Its IUPAC name is N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propan-2-yloctanamide.

Molecular Properties

Compound NameN-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propan-2-yloctanamide
PubChem CID42769111
Molecular FormulaC16H27N3O3
Molecular Weight309.41 g/mol
Exact Mass309.21
IUPAC NameN-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propan-2-yloctanamide
SMILESCCCCCCCC(=O)N(CC(=O)Nc1ccon1)C(C)C
InChIInChI=1S/C16H27N3O3/c1-4-5-6-7-8-9-16(21)19(13(2)3)12-15(20)17-14-10-11-22-18-14/h10-11,13H,4-9,12H2,1-3H3,(H,17,18,20)
InChIKeyHLGJULRTHKKPPT-UHFFFAOYSA-N
XLogP3.21
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
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

[(S)-1-(Isoxazol-3-ylaminooxalyl)-pentyl]-carbamic acid 1-isopropyl-2-methyl-propyl ester
CID 11233954
[1-(Isoxazol-3-ylaminooxalyl)-pentyl]-carbamic acid 2,2-dimethyl-butyl ester
CID 11314186
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propylpropanamide
CID 813652
N1-((1-isopropylpiperidin-4-yl)methyl)-N2-(isoxazol-3-yl)oxalamide
CID 16886592
N1-((1-cyclopentylpiperidin-4-yl)methyl)-N2-(isoxazol-3-yl)oxalamide
CID 16886762
N-cyclohexyl-2-methyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]propanamide
CID 42663957
N1-cyclohexyl-N2-(isoxazol-3-yl)oxalamide
CID 18588593
2-(4-methyl-1,4-diazepan-1-yl)-N-(1,2-oxazol-3-yl)-2-oxoacetamide
CID 136533704
2-(1-fluoroethyl)-N-(1,2-oxazol-3-yl)piperidine-1-carboxamide
CID 177783386
N-(1,2-oxazol-3-yl)octanamide
CID 2225378
2-(3-fluoropiperidin-1-yl)-N-(1,2-oxazol-3-yl)acetamide
CID 146141163
2-(3-methylbutylamino)-N-(1,2-oxazol-3-yl)acetamide
CID 4114304

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propan-2-yloctanamide?
The IUPAC name of N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propan-2-yloctanamide (CID 42769111) is N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propan-2-yloctanamide.
What is the SMILES notation for N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propan-2-yloctanamide?
The canonical SMILES for N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propan-2-yloctanamide is CCCCCCCC(=O)N(CC(=O)Nc1ccon1)C(C)C.
What is the InChIKey of N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propan-2-yloctanamide?
The InChIKey is HLGJULRTHKKPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3/c1-4-5-6-7-8-9-16(21)19(13(2)3)12-15(20)17-14-10-11-22-18-14/h10-11,13H,4-9,12H2,1-3H3,(H,17,18,20).
What are the key properties of N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propan-2-yloctanamide?
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propan-2-yloctanamide has a molecular weight of 309.41 g/mol, XLogP of 3.21, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propan-2-yloctanamide is sourced from PubChem (CID 42769111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).