(E)-N-carbamoyl-3-[2-(7-phenylheptanoyl)-1,3-oxazol-5-yl]prop-2-enamide

C20H23N3O4 — CID 71047653

IUPAC(E)-N-carbamoyl-3-[2-(7-phenylheptanoyl)-1,3-oxazol-5-yl]prop-2-enamide
SMILESNC(=O)NC(=O)/C=C/c1cnc(C(=O)CCCCCCc2ccccc2)o1
InChIInChI=1S/C20H23N3O4/c21-20(26)23-18(25)13-12-16-14-22-19(27-16)17(24)11-7-2-1-4-8-15-9-5-3-6-10-15/h3,5-6,9-10,12-14H,1-2,4,7-8,11H2,(H3,21,23,25,26)/b13-12+
InChIKeyJWQLNTWJOQICMO-OUKQBFOZSA-N
MW369.42 g/mol
LogP3.26
Rot. Bonds10

About (E)-N-carbamoyl-3-[2-(7-phenylheptanoyl)-1,3-oxazol-5-yl]prop-2-enamide

(E)-N-carbamoyl-3-[2-(7-phenylheptanoyl)-1,3-oxazol-5-yl]prop-2-enamide (PubChem CID 71047653) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is (E)-N-carbamoyl-3-[2-(7-phenylheptanoyl)-1,3-oxazol-5-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-carbamoyl-3-[2-(7-phenylheptanoyl)-1,3-oxazol-5-yl]prop-2-enamide
PubChem CID71047653
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Name(E)-N-carbamoyl-3-[2-(7-phenylheptanoyl)-1,3-oxazol-5-yl]prop-2-enamide
SMILESNC(=O)NC(=O)/C=C/c1cnc(C(=O)CCCCCCc2ccccc2)o1
InChIInChI=1S/C20H23N3O4/c21-20(26)23-18(25)13-12-16-14-22-19(27-16)17(24)11-7-2-1-4-8-15-9-5-3-6-10-15/h3,5-6,9-10,12-14H,1-2,4,7-8,11H2,(H3,21,23,25,26)/b13-12+
InChIKeyJWQLNTWJOQICMO-OUKQBFOZSA-N
XLogP3.26
TPSA115.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

7-phenyl-1-(5-phenyl-1,3-oxazol-2-yl)heptan-1-one
CID 11279040
1-[5-[2-(methylideneamino)phenyl]-1,3-oxazol-2-yl]-7-phenylheptan-1-one
CID 118402576
1-[5-(3-isocyanophenyl)-1,3-oxazol-2-yl]-7-phenylheptan-1-one
CID 58956226
N-carbamothioyl-5-phenylpentanamide
CID 154164034
N-hydroxy-6-phenylhexanamide;thiohydroxylamine
CID 142086803
(E)-3-[4-(4-phenylbutyl)phenyl]prop-2-enamide
CID 141109244
15-phenylpentadecanoic acid
CID 2737151
N-methyl-9-phenylnonanamide
CID 118028570
7-phenyl-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)heptan-1-one
CID 24951001
7-phenyl-1-[4-(trifluoromethyl)-1,3-oxazol-2-yl]heptan-1-one
CID 44554787
1-(4-isocyano-1,3-oxazol-2-yl)-7-phenylheptan-1-one
CID 58369509
7-[5-(3-phenylpropyl)thiophen-2-yl]heptanamide
CID 15667483

Frequently Asked Questions

What is the IUPAC name of (E)-N-carbamoyl-3-[2-(7-phenylheptanoyl)-1,3-oxazol-5-yl]prop-2-enamide?
The IUPAC name of (E)-N-carbamoyl-3-[2-(7-phenylheptanoyl)-1,3-oxazol-5-yl]prop-2-enamide (CID 71047653) is (E)-N-carbamoyl-3-[2-(7-phenylheptanoyl)-1,3-oxazol-5-yl]prop-2-enamide.
What is the SMILES notation for (E)-N-carbamoyl-3-[2-(7-phenylheptanoyl)-1,3-oxazol-5-yl]prop-2-enamide?
The canonical SMILES for (E)-N-carbamoyl-3-[2-(7-phenylheptanoyl)-1,3-oxazol-5-yl]prop-2-enamide is NC(=O)NC(=O)/C=C/c1cnc(C(=O)CCCCCCc2ccccc2)o1.
What is the InChIKey of (E)-N-carbamoyl-3-[2-(7-phenylheptanoyl)-1,3-oxazol-5-yl]prop-2-enamide?
The InChIKey is JWQLNTWJOQICMO-OUKQBFOZSA-N. The full InChI is InChI=1S/C20H23N3O4/c21-20(26)23-18(25)13-12-16-14-22-19(27-16)17(24)11-7-2-1-4-8-15-9-5-3-6-10-15/h3,5-6,9-10,12-14H,1-2,4,7-8,11H2,(H3,21,23,25,26)/b13-12+.
What are the key properties of (E)-N-carbamoyl-3-[2-(7-phenylheptanoyl)-1,3-oxazol-5-yl]prop-2-enamide?
(E)-N-carbamoyl-3-[2-(7-phenylheptanoyl)-1,3-oxazol-5-yl]prop-2-enamide has a molecular weight of 369.42 g/mol, XLogP of 3.26, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-carbamoyl-3-[2-(7-phenylheptanoyl)-1,3-oxazol-5-yl]prop-2-enamide is sourced from PubChem (CID 71047653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).