N-cyclohexyl-N'-[4-(1,3-oxazol-5-yl)phenyl]-N'-(1-pyrimidin-5-ylethyl)oxamide

C23H25N5O3 — CID 168861886

IUPACN-cyclohexyl-N'-[4-(1,3-oxazol-5-yl)phenyl]-N'-(1-pyrimidin-5-ylethyl)oxamide
SMILESCC(c1cncnc1)N(C(=O)C(=O)NC1CCCCC1)c1ccc(-c2cnco2)cc1
InChIInChI=1S/C23H25N5O3/c1-16(18-11-24-14-25-12-18)28(23(30)22(29)27-19-5-3-2-4-6-19)20-9-7-17(8-10-20)21-13-26-15-31-21/h7-16,19H,2-6H2,1H3,(H,27,29)
InChIKeyPNQGNYKGAOGMAA-UHFFFAOYSA-N
MW419.49 g/mol
LogP3.67
Rot. Bonds5

About N-cyclohexyl-N'-[4-(1,3-oxazol-5-yl)phenyl]-N'-(1-pyrimidin-5-ylethyl)oxamide

N-cyclohexyl-N'-[4-(1,3-oxazol-5-yl)phenyl]-N'-(1-pyrimidin-5-ylethyl)oxamide (PubChem CID 168861886) has the molecular formula C23H25N5O3 and a molecular weight of 419.49 g/mol. Its IUPAC name is N-cyclohexyl-N'-[4-(1,3-oxazol-5-yl)phenyl]-N'-(1-pyrimidin-5-ylethyl)oxamide.

Molecular Properties

Compound NameN-cyclohexyl-N'-[4-(1,3-oxazol-5-yl)phenyl]-N'-(1-pyrimidin-5-ylethyl)oxamide
PubChem CID168861886
Molecular FormulaC23H25N5O3
Molecular Weight419.49 g/mol
Exact Mass419.20
IUPAC NameN-cyclohexyl-N'-[4-(1,3-oxazol-5-yl)phenyl]-N'-(1-pyrimidin-5-ylethyl)oxamide
SMILESCC(c1cncnc1)N(C(=O)C(=O)NC1CCCCC1)c1ccc(-c2cnco2)cc1
InChIInChI=1S/C23H25N5O3/c1-16(18-11-24-14-25-12-18)28(23(30)22(29)27-19-5-3-2-4-6-19)20-9-7-17(8-10-20)21-13-26-15-31-21/h7-16,19H,2-6H2,1H3,(H,27,29)
InChIKeyPNQGNYKGAOGMAA-UHFFFAOYSA-N
XLogP3.67
TPSA101.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(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-(1,3-oxazol-5-yl)anilino]-N-[(3S)-oxolan-3-yl]-2-pyrimidin-5-ylacetamide
CID 162533766
2-[N-(2-chloroacetyl)-4-(1,3-oxazol-5-yl)anilino]-N-(oxan-4-yl)-2-pyridin-3-ylacetamide
CID 162533751
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
N-cyclododecyl-N'-(4-hydroxyphenyl)-N'-methyloxamide
CID 108517414
N-cyclopropyl-N-methyl-4-(1,3-oxazol-5-yl)benzamide
CID 47413926
2-[4-(1,3-oxazol-5-yl)anilino]propanoic acid
CID 66174342
N-cyclobutyl-N'-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide
CID 20766949
N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-methylphenyl)-1H-pyrrole-2-carboxamide
CID 155530877
2-(N-(2-chloroacetyl)-4-pyrimidin-4-ylanilino)-N-(4,4-difluorocyclohexyl)-2-pyrimidin-5-ylacetamide
CID 162533785
(2R,4R)-1-cyano-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-4-methyl-N-(4-phenylphenyl)pyrrolidine-2-carboxamide
CID 167604512
N-[(1R)-2-(cyclohexylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 1167269

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N'-[4-(1,3-oxazol-5-yl)phenyl]-N'-(1-pyrimidin-5-ylethyl)oxamide?
The IUPAC name of N-cyclohexyl-N'-[4-(1,3-oxazol-5-yl)phenyl]-N'-(1-pyrimidin-5-ylethyl)oxamide (CID 168861886) is N-cyclohexyl-N'-[4-(1,3-oxazol-5-yl)phenyl]-N'-(1-pyrimidin-5-ylethyl)oxamide.
What is the SMILES notation for N-cyclohexyl-N'-[4-(1,3-oxazol-5-yl)phenyl]-N'-(1-pyrimidin-5-ylethyl)oxamide?
The canonical SMILES for N-cyclohexyl-N'-[4-(1,3-oxazol-5-yl)phenyl]-N'-(1-pyrimidin-5-ylethyl)oxamide is CC(c1cncnc1)N(C(=O)C(=O)NC1CCCCC1)c1ccc(-c2cnco2)cc1.
What is the InChIKey of N-cyclohexyl-N'-[4-(1,3-oxazol-5-yl)phenyl]-N'-(1-pyrimidin-5-ylethyl)oxamide?
The InChIKey is PNQGNYKGAOGMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O3/c1-16(18-11-24-14-25-12-18)28(23(30)22(29)27-19-5-3-2-4-6-19)20-9-7-17(8-10-20)21-13-26-15-31-21/h7-16,19H,2-6H2,1H3,(H,27,29).
What are the key properties of N-cyclohexyl-N'-[4-(1,3-oxazol-5-yl)phenyl]-N'-(1-pyrimidin-5-ylethyl)oxamide?
N-cyclohexyl-N'-[4-(1,3-oxazol-5-yl)phenyl]-N'-(1-pyrimidin-5-ylethyl)oxamide has a molecular weight of 419.49 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N'-[4-(1,3-oxazol-5-yl)phenyl]-N'-(1-pyrimidin-5-ylethyl)oxamide is sourced from PubChem (CID 168861886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).