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

C20H34N4O3 — CID 4582164

IUPACN-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(2-pyrrolidin-1-ylethyl)nonanamide
SMILESCCCCCCCCC(=O)N(CCN1CCCC1)CC(=O)Nc1ccon1
InChIInChI=1S/C20H34N4O3/c1-2-3-4-5-6-7-10-20(26)24(15-14-23-12-8-9-13-23)17-19(25)21-18-11-16-27-22-18/h11,16H,2-10,12-15,17H2,1H3,(H,21,22,25)
InChIKeyJMBNXRXLUORMLV-UHFFFAOYSA-N
MW378.52 g/mol
LogP3.29
Rot. Bonds13

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

N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(2-pyrrolidin-1-ylethyl)nonanamide (PubChem CID 4582164) has the molecular formula C20H34N4O3 and a molecular weight of 378.52 g/mol. Its IUPAC name is N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(2-pyrrolidin-1-ylethyl)nonanamide.

Molecular Properties

Compound NameN-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(2-pyrrolidin-1-ylethyl)nonanamide
PubChem CID4582164
Molecular FormulaC20H34N4O3
Molecular Weight378.52 g/mol
Exact Mass378.26
IUPAC NameN-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(2-pyrrolidin-1-ylethyl)nonanamide
SMILESCCCCCCCCC(=O)N(CCN1CCCC1)CC(=O)Nc1ccon1
InChIInChI=1S/C20H34N4O3/c1-2-3-4-5-6-7-10-20(26)24(15-14-23-12-8-9-13-23)17-19(25)21-18-11-16-27-22-18/h11,16H,2-10,12-15,17H2,1H3,(H,21,22,25)
InChIKeyJMBNXRXLUORMLV-UHFFFAOYSA-N
XLogP3.29
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-hexyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]heptanamide
CID 42663984
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
N-(2-methoxyethyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]nonanamide
CID 5176062
N-(3-methoxypropyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]heptanamide
CID 42771642
2-methyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 814540
N-(3-ethoxypropyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]hexanamide
CID 4080850
N-(cyclohexylmethyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]nonanamide
CID 3517609
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-prop-2-enylheptanamide
CID 42769068
N-(2-methoxyethyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]pentanamide
CID 42769137
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-[[(2R)-oxolan-2-yl]methyl]tetradecanamide
CID 98397526

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(2-pyrrolidin-1-ylethyl)nonanamide?
The IUPAC name of N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(2-pyrrolidin-1-ylethyl)nonanamide (CID 4582164) is N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(2-pyrrolidin-1-ylethyl)nonanamide.
What is the SMILES notation for N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(2-pyrrolidin-1-ylethyl)nonanamide?
The canonical SMILES for N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(2-pyrrolidin-1-ylethyl)nonanamide is CCCCCCCCC(=O)N(CCN1CCCC1)CC(=O)Nc1ccon1.
What is the InChIKey of N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(2-pyrrolidin-1-ylethyl)nonanamide?
The InChIKey is JMBNXRXLUORMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O3/c1-2-3-4-5-6-7-10-20(26)24(15-14-23-12-8-9-13-23)17-19(25)21-18-11-16-27-22-18/h11,16H,2-10,12-15,17H2,1H3,(H,21,22,25).
What are the key properties of N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(2-pyrrolidin-1-ylethyl)nonanamide?
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(2-pyrrolidin-1-ylethyl)nonanamide has a molecular weight of 378.52 g/mol, XLogP of 3.29, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(2-pyrrolidin-1-ylethyl)nonanamide is sourced from PubChem (CID 4582164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).