N-[[5-methyl-2-[3-(3-pyridin-3-ylpropanoylamino)phenyl]-1,3-oxazol-4-yl]methyl]cyclohex-3-ene-1-carboxamide

C26H28N4O3 — CID 45176298

IUPACN-[[5-methyl-2-[3-(3-pyridin-3-ylpropanoylamino)phenyl]-1,3-oxazol-4-yl]methyl]cyclohex-3-ene-1-carboxamide
SMILESCc1oc(-c2cccc(NC(=O)CCc3cccnc3)c2)nc1CNC(=O)C1CC=CCC1
InChIInChI=1S/C26H28N4O3/c1-18-23(17-28-25(32)20-8-3-2-4-9-20)30-26(33-18)21-10-5-11-22(15-21)29-24(31)13-12-19-7-6-14-27-16-19/h2-3,5-7,10-11,14-16,20H,4,8-9,12-13,17H2,1H3,(H,28,32)(H,29,31)
InChIKeyJNEHBDXLRRZUKG-UHFFFAOYSA-N
MW444.54 g/mol
LogP4.59
Rot. Bonds8

About N-[[5-methyl-2-[3-(3-pyridin-3-ylpropanoylamino)phenyl]-1,3-oxazol-4-yl]methyl]cyclohex-3-ene-1-carboxamide

N-[[5-methyl-2-[3-(3-pyridin-3-ylpropanoylamino)phenyl]-1,3-oxazol-4-yl]methyl]cyclohex-3-ene-1-carboxamide (PubChem CID 45176298) has the molecular formula C26H28N4O3 and a molecular weight of 444.54 g/mol. Its IUPAC name is N-[[5-methyl-2-[3-(3-pyridin-3-ylpropanoylamino)phenyl]-1,3-oxazol-4-yl]methyl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-[[5-methyl-2-[3-(3-pyridin-3-ylpropanoylamino)phenyl]-1,3-oxazol-4-yl]methyl]cyclohex-3-ene-1-carboxamide
PubChem CID45176298
Molecular FormulaC26H28N4O3
Molecular Weight444.54 g/mol
Exact Mass444.22
IUPAC NameN-[[5-methyl-2-[3-(3-pyridin-3-ylpropanoylamino)phenyl]-1,3-oxazol-4-yl]methyl]cyclohex-3-ene-1-carboxamide
SMILESCc1oc(-c2cccc(NC(=O)CCc3cccnc3)c2)nc1CNC(=O)C1CC=CCC1
InChIInChI=1S/C26H28N4O3/c1-18-23(17-28-25(32)20-8-3-2-4-9-20)30-26(33-18)21-10-5-11-22(15-21)29-24(31)13-12-19-7-6-14-27-16-19/h2-3,5-7,10-11,14-16,20H,4,8-9,12-13,17H2,1H3,(H,28,32)(H,29,31)
InChIKeyJNEHBDXLRRZUKG-UHFFFAOYSA-N
XLogP4.59
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[[5-methyl-2-[3-(3-pyridin-3-ylpropanoylamino)phenyl]-1,3-oxazol-4-yl]methyl]cyclohex-3-ene-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[5-methyl-4-[[(2-oxo-2-phenylacetyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]-3-pyridin-3-ylpropanamide
CID 42165935
N-[3-[5-methyl-4-[[(2-thiophen-2-ylacetyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]-3-pyridin-3-ylpropanamide
CID 42467503
N-[[5-methyl-2-[4-[(2-phenylacetyl)amino]phenyl]-1,3-oxazol-4-yl]methyl]cyclohex-3-ene-1-carboxamide
CID 45195114
N-[3-[[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]methyl]phenyl]cyclopropanecarboxamide
CID 30778625
N-(3-acetylphenyl)-3-pyridin-3-ylpropanamide
CID 9209643
N-[3-[5-methyl-4-[[[2-(3-methylphenyl)acetyl]amino]methyl]-1,3-oxazol-2-yl]phenyl]pyridine-2-carboxamide
CID 42247588
N-[3-[4-[[[2-(2-chlorophenyl)acetyl]amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-3-methylbutanamide
CID 118754253
2-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]-N-(pyridin-3-ylmethyl)acetamide
CID 20860412
N-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]cyclobutanecarboxamide
CID 141066815
N-[[2-[3-[(2-methoxyacetyl)amino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-4-(2-methylpropyl)benzamide
CID 42166903
5-(methoxymethyl)-N-[[2-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]furan-2-carboxamide
CID 42421181
N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]cyclohex-3-ene-1-carboxamide
CID 131909357

Frequently Asked Questions

What is the IUPAC name of N-[[5-methyl-2-[3-(3-pyridin-3-ylpropanoylamino)phenyl]-1,3-oxazol-4-yl]methyl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-[[5-methyl-2-[3-(3-pyridin-3-ylpropanoylamino)phenyl]-1,3-oxazol-4-yl]methyl]cyclohex-3-ene-1-carboxamide (CID 45176298) is N-[[5-methyl-2-[3-(3-pyridin-3-ylpropanoylamino)phenyl]-1,3-oxazol-4-yl]methyl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-[[5-methyl-2-[3-(3-pyridin-3-ylpropanoylamino)phenyl]-1,3-oxazol-4-yl]methyl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-[[5-methyl-2-[3-(3-pyridin-3-ylpropanoylamino)phenyl]-1,3-oxazol-4-yl]methyl]cyclohex-3-ene-1-carboxamide is Cc1oc(-c2cccc(NC(=O)CCc3cccnc3)c2)nc1CNC(=O)C1CC=CCC1.
What is the InChIKey of N-[[5-methyl-2-[3-(3-pyridin-3-ylpropanoylamino)phenyl]-1,3-oxazol-4-yl]methyl]cyclohex-3-ene-1-carboxamide?
The InChIKey is JNEHBDXLRRZUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O3/c1-18-23(17-28-25(32)20-8-3-2-4-9-20)30-26(33-18)21-10-5-11-22(15-21)29-24(31)13-12-19-7-6-14-27-16-19/h2-3,5-7,10-11,14-16,20H,4,8-9,12-13,17H2,1H3,(H,28,32)(H,29,31).
What are the key properties of N-[[5-methyl-2-[3-(3-pyridin-3-ylpropanoylamino)phenyl]-1,3-oxazol-4-yl]methyl]cyclohex-3-ene-1-carboxamide?
N-[[5-methyl-2-[3-(3-pyridin-3-ylpropanoylamino)phenyl]-1,3-oxazol-4-yl]methyl]cyclohex-3-ene-1-carboxamide has a molecular weight of 444.54 g/mol, XLogP of 4.59, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-methyl-2-[3-(3-pyridin-3-ylpropanoylamino)phenyl]-1,3-oxazol-4-yl]methyl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 45176298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).