2-[N-(2-chloroacetyl)-4-(1,3-oxazol-5-yl)anilino]-N-(oxan-4-yl)-2-pyridin-3-ylacetamide

C23H23ClN4O4 — CID 162533751

IUPAC2-[N-(2-chloroacetyl)-4-(1,3-oxazol-5-yl)anilino]-N-(oxan-4-yl)-2-pyridin-3-ylacetamide
SMILESO=C(NC1CCOCC1)C(c1cccnc1)N(C(=O)CCl)c1ccc(-c2cnco2)cc1
InChIInChI=1S/C23H23ClN4O4/c24-12-21(29)28(19-5-3-16(4-6-19)20-14-26-15-32-20)22(17-2-1-9-25-13-17)23(30)27-18-7-10-31-11-8-18/h1-6,9,13-15,18,22H,7-8,10-12H2,(H,27,30)
InChIKeyDUSXHBSYUNPBFL-UHFFFAOYSA-N
MW454.91 g/mol
LogP3.34
Rot. Bonds7

About 2-[N-(2-chloroacetyl)-4-(1,3-oxazol-5-yl)anilino]-N-(oxan-4-yl)-2-pyridin-3-ylacetamide

2-[N-(2-chloroacetyl)-4-(1,3-oxazol-5-yl)anilino]-N-(oxan-4-yl)-2-pyridin-3-ylacetamide (PubChem CID 162533751) has the molecular formula C23H23ClN4O4 and a molecular weight of 454.91 g/mol. Its IUPAC name is 2-[N-(2-chloroacetyl)-4-(1,3-oxazol-5-yl)anilino]-N-(oxan-4-yl)-2-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-[N-(2-chloroacetyl)-4-(1,3-oxazol-5-yl)anilino]-N-(oxan-4-yl)-2-pyridin-3-ylacetamide
PubChem CID162533751
Molecular FormulaC23H23ClN4O4
Molecular Weight454.91 g/mol
Exact Mass454.14
IUPAC Name2-[N-(2-chloroacetyl)-4-(1,3-oxazol-5-yl)anilino]-N-(oxan-4-yl)-2-pyridin-3-ylacetamide
SMILESO=C(NC1CCOCC1)C(c1cccnc1)N(C(=O)CCl)c1ccc(-c2cnco2)cc1
InChIInChI=1S/C23H23ClN4O4/c24-12-21(29)28(19-5-3-16(4-6-19)20-14-26-15-32-20)22(17-2-1-9-25-13-17)23(30)27-18-7-10-31-11-8-18/h1-6,9,13-15,18,22H,7-8,10-12H2,(H,27,30)
InChIKeyDUSXHBSYUNPBFL-UHFFFAOYSA-N
XLogP3.34
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.91
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[N-(2-chloroacetyl)-4-(1,3-oxazol-5-yl)anilino]-N-(oxan-4-yl)-2-pyridin-3-ylacetamide 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

2-[N-(2-chloroacetyl)-4-(1,3-oxazol-5-yl)anilino]-N-[(3S)-oxolan-3-yl]-2-pyrimidin-5-ylacetamide
CID 162533766
(2S)-2-(3-chloro-N-(2-chloroacetyl)anilino)-N-cyclohexyl-2-pyridin-3-ylacetamide
CID 92534555
2-(N-(2-chloroacetyl)-4-fluoroanilino)-N-cyclohexyl-2-phenylacetamide
CID 53364514
2-[N-(2-chloroacetyl)-4-(1,3-oxazol-5-yl)anilino]-N-[3-(4-methylimidazol-1-yl)-1-bicyclo[1.1.1]pentanyl]-2-pyrimidin-5-ylacetamide
CID 168791151
(2S)-N-[(1R)-2-[(4,4-difluorocyclohexyl)amino]-2-oxo-1-pyrimidin-5-ylethyl]-N-[4-(1,3-oxazol-5-yl)phenyl]oxirane-2-carboxamide
CID 162533796
2-(N-(2-chloroacetyl)-4-pyrimidin-4-ylanilino)-N-(4,4-difluorocyclohexyl)-2-pyrimidin-5-ylacetamide
CID 162533785
N-cyclohexyl-2-(4-ethoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-3-ylacetamide
CID 3191129
N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-4-methylanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 3211147
N-cyclohexyl-N'-[4-(1,3-oxazol-5-yl)phenyl]-N'-(1-pyrimidin-5-ylethyl)oxamide
CID 168861886
N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-4-methoxyanilino)-2-oxoethyl]furan-2-carboxamide
CID 3211629
N-cyclohexyl-2-(N-[2-(1H-indol-3-yl)acetyl]-4-methylanilino)-2-pyridin-3-ylacetamide
CID 3190864
N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)furan-2-carboxamide
CID 3196499

Frequently Asked Questions

What is the IUPAC name of 2-[N-(2-chloroacetyl)-4-(1,3-oxazol-5-yl)anilino]-N-(oxan-4-yl)-2-pyridin-3-ylacetamide?
The IUPAC name of 2-[N-(2-chloroacetyl)-4-(1,3-oxazol-5-yl)anilino]-N-(oxan-4-yl)-2-pyridin-3-ylacetamide (CID 162533751) is 2-[N-(2-chloroacetyl)-4-(1,3-oxazol-5-yl)anilino]-N-(oxan-4-yl)-2-pyridin-3-ylacetamide.
What is the SMILES notation for 2-[N-(2-chloroacetyl)-4-(1,3-oxazol-5-yl)anilino]-N-(oxan-4-yl)-2-pyridin-3-ylacetamide?
The canonical SMILES for 2-[N-(2-chloroacetyl)-4-(1,3-oxazol-5-yl)anilino]-N-(oxan-4-yl)-2-pyridin-3-ylacetamide is O=C(NC1CCOCC1)C(c1cccnc1)N(C(=O)CCl)c1ccc(-c2cnco2)cc1.
What is the InChIKey of 2-[N-(2-chloroacetyl)-4-(1,3-oxazol-5-yl)anilino]-N-(oxan-4-yl)-2-pyridin-3-ylacetamide?
The InChIKey is DUSXHBSYUNPBFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4O4/c24-12-21(29)28(19-5-3-16(4-6-19)20-14-26-15-32-20)22(17-2-1-9-25-13-17)23(30)27-18-7-10-31-11-8-18/h1-6,9,13-15,18,22H,7-8,10-12H2,(H,27,30).
What are the key properties of 2-[N-(2-chloroacetyl)-4-(1,3-oxazol-5-yl)anilino]-N-(oxan-4-yl)-2-pyridin-3-ylacetamide?
2-[N-(2-chloroacetyl)-4-(1,3-oxazol-5-yl)anilino]-N-(oxan-4-yl)-2-pyridin-3-ylacetamide has a molecular weight of 454.91 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(2-chloroacetyl)-4-(1,3-oxazol-5-yl)anilino]-N-(oxan-4-yl)-2-pyridin-3-ylacetamide is sourced from PubChem (CID 162533751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).