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

C18H31N3O3 — CID 4075259

IUPACN-butyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]nonanamide
SMILESCCCCCCCCC(=O)N(CCCC)CC(=O)Nc1ccon1
InChIInChI=1S/C18H31N3O3/c1-3-5-7-8-9-10-11-18(23)21(13-6-4-2)15-17(22)19-16-12-14-24-20-16/h12,14H,3-11,13,15H2,1-2H3,(H,19,20,22)
InChIKeyMXZPFRRUMUAJPN-UHFFFAOYSA-N
MW337.46 g/mol
LogP3.99
Rot. Bonds13

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

N-butyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]nonanamide (PubChem CID 4075259) has the molecular formula C18H31N3O3 and a molecular weight of 337.46 g/mol. Its IUPAC name is N-butyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]nonanamide.

Molecular Properties

Compound NameN-butyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]nonanamide
PubChem CID4075259
Molecular FormulaC18H31N3O3
Molecular Weight337.46 g/mol
Exact Mass337.24
IUPAC NameN-butyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]nonanamide
SMILESCCCCCCCCC(=O)N(CCCC)CC(=O)Nc1ccon1
InChIInChI=1S/C18H31N3O3/c1-3-5-7-8-9-10-11-18(23)21(13-6-4-2)15-17(22)19-16-12-14-24-20-16/h12,14H,3-11,13,15H2,1-2H3,(H,19,20,22)
InChIKeyMXZPFRRUMUAJPN-UHFFFAOYSA-N
XLogP3.99
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 53.99
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]heptanamide
CID 42663973
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]nonanamide?
The IUPAC name of N-butyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]nonanamide (CID 4075259) is N-butyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]nonanamide.
What is the SMILES notation for N-butyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]nonanamide?
The canonical SMILES for N-butyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]nonanamide is CCCCCCCCC(=O)N(CCCC)CC(=O)Nc1ccon1.
What is the InChIKey of N-butyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]nonanamide?
The InChIKey is MXZPFRRUMUAJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O3/c1-3-5-7-8-9-10-11-18(23)21(13-6-4-2)15-17(22)19-16-12-14-24-20-16/h12,14H,3-11,13,15H2,1-2H3,(H,19,20,22).
What are the key properties of N-butyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]nonanamide?
N-butyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]nonanamide has a molecular weight of 337.46 g/mol, XLogP of 3.99, 13 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]nonanamide is sourced from PubChem (CID 4075259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).