N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-prop-2-enylheptanamide

C15H23N3O3 — CID 42769068

IUPACN-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-prop-2-enylheptanamide
SMILESC=CCN(CC(=O)Nc1ccon1)C(=O)CCCCCC
InChIInChI=1S/C15H23N3O3/c1-3-5-6-7-8-15(20)18(10-4-2)12-14(19)16-13-9-11-21-17-13/h4,9,11H,2-3,5-8,10,12H2,1H3,(H,16,17,19)
InChIKeyJZZDDYRGKXKWRR-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.60
Rot. Bonds10

About N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-prop-2-enylheptanamide

N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-prop-2-enylheptanamide (PubChem CID 42769068) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-prop-2-enylheptanamide.

Molecular Properties

Compound NameN-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-prop-2-enylheptanamide
PubChem CID42769068
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC NameN-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-prop-2-enylheptanamide
SMILESC=CCN(CC(=O)Nc1ccon1)C(=O)CCCCCC
InChIInChI=1S/C15H23N3O3/c1-3-5-6-7-8-15(20)18(10-4-2)12-14(19)16-13-9-11-21-17-13/h4,9,11H,2-3,5-8,10,12H2,1H3,(H,16,17,19)
InChIKeyJZZDDYRGKXKWRR-UHFFFAOYSA-N
XLogP2.60
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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
N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-prop-2-enylhexanamide
CID 4616355
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-3-phenyl-N-prop-2-enylpropanamide
CID 813689
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-propan-2-yloctanamide
CID 42769111
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(2-pyrrolidin-1-ylethyl)nonanamide
CID 4582164

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-prop-2-enylheptanamide?
The IUPAC name of N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-prop-2-enylheptanamide (CID 42769068) is N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-prop-2-enylheptanamide.
What is the SMILES notation for N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-prop-2-enylheptanamide?
The canonical SMILES for N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-prop-2-enylheptanamide is C=CCN(CC(=O)Nc1ccon1)C(=O)CCCCCC.
What is the InChIKey of N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-prop-2-enylheptanamide?
The InChIKey is JZZDDYRGKXKWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-3-5-6-7-8-15(20)18(10-4-2)12-14(19)16-13-9-11-21-17-13/h4,9,11H,2-3,5-8,10,12H2,1H3,(H,16,17,19).
What are the key properties of N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-prop-2-enylheptanamide?
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-prop-2-enylheptanamide has a molecular weight of 293.37 g/mol, XLogP of 2.60, 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-prop-2-enylheptanamide is sourced from PubChem (CID 42769068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).