N-hexyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-3-phenylprop-2-enamide

C20H25N3O3 — CID 4142043

IUPACN-hexyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-3-phenylprop-2-enamide
SMILESCCCCCCN(CC(=O)Nc1ccon1)C(=O)C=Cc1ccccc1
InChIInChI=1S/C20H25N3O3/c1-2-3-4-8-14-23(16-19(24)21-18-13-15-26-22-18)20(25)12-11-17-9-6-5-7-10-17/h5-7,9-13,15H,2-4,8,14,16H2,1H3,(H,21,22,24)
InChIKeyOCBDQBWJICSYQW-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.74
Rot. Bonds10

About N-hexyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-3-phenylprop-2-enamide

N-hexyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-3-phenylprop-2-enamide (PubChem CID 4142043) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-hexyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound NameN-hexyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-3-phenylprop-2-enamide
PubChem CID4142043
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC NameN-hexyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-3-phenylprop-2-enamide
SMILESCCCCCCN(CC(=O)Nc1ccon1)C(=O)C=Cc1ccccc1
InChIInChI=1S/C20H25N3O3/c1-2-3-4-8-14-23(16-19(24)21-18-13-15-26-22-18)20(25)12-11-17-9-6-5-7-10-17/h5-7,9-13,15H,2-4,8,14,16H2,1H3,(H,21,22,24)
InChIKeyOCBDQBWJICSYQW-UHFFFAOYSA-N
XLogP3.74
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-[(2R)-butan-2-yl]-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-3-phenylprop-2-enamide
CID 813648
2-[benzylcarbamoyl(hexyl)amino]-N-(1,2-oxazol-3-yl)acetamide
CID 42769290
N-hexyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]heptanamide
CID 42663984
2-[ethylcarbamoyl(hexyl)amino]-N-(1,2-oxazol-3-yl)acetamide
CID 3628865
N-butyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]nonanamide
CID 4075259
N-hexyl-2,2-dimethyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]propanamide
CID 42769041
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]cyclopropanecarboxamide
CID 5064786
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propyltetradecanamide
CID 42664167
4-butyl-N-hexyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide
CID 3705087
2,6-dimethoxy-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-pentylbenzamide
CID 42770937
N-(3-methoxypropyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]heptanamide
CID 42771642

Frequently Asked Questions

What is the IUPAC name of N-hexyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-3-phenylprop-2-enamide?
The IUPAC name of N-hexyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-3-phenylprop-2-enamide (CID 4142043) is N-hexyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-3-phenylprop-2-enamide.
What is the SMILES notation for N-hexyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-3-phenylprop-2-enamide?
The canonical SMILES for N-hexyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-3-phenylprop-2-enamide is CCCCCCN(CC(=O)Nc1ccon1)C(=O)C=Cc1ccccc1.
What is the InChIKey of N-hexyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-3-phenylprop-2-enamide?
The InChIKey is OCBDQBWJICSYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-2-3-4-8-14-23(16-19(24)21-18-13-15-26-22-18)20(25)12-11-17-9-6-5-7-10-17/h5-7,9-13,15H,2-4,8,14,16H2,1H3,(H,21,22,24).
What are the key properties of N-hexyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-3-phenylprop-2-enamide?
N-hexyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-3-phenylprop-2-enamide has a molecular weight of 355.44 g/mol, XLogP of 3.74, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 4142043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).