N-cyclohexyl-5-(2-pentoxyphenyl)-1,2-oxazole-3-carboxamide

C21H28N2O3 — CID 71769418

IUPACN-cyclohexyl-5-(2-pentoxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCCCCCOc1ccccc1-c1cc(C(=O)NC2CCCCC2)no1
InChIInChI=1S/C21H28N2O3/c1-2-3-9-14-25-19-13-8-7-12-17(19)20-15-18(23-26-20)21(24)22-16-10-5-4-6-11-16/h7-8,12-13,15-16H,2-6,9-11,14H2,1H3,(H,22,24)
InChIKeyYSXOIXMWQLINBB-UHFFFAOYSA-N
MW356.47 g/mol
LogP4.97
Rot. Bonds8

About N-cyclohexyl-5-(2-pentoxyphenyl)-1,2-oxazole-3-carboxamide

N-cyclohexyl-5-(2-pentoxyphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 71769418) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-cyclohexyl-5-(2-pentoxyphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-5-(2-pentoxyphenyl)-1,2-oxazole-3-carboxamide
PubChem CID71769418
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC NameN-cyclohexyl-5-(2-pentoxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCCCCCOc1ccccc1-c1cc(C(=O)NC2CCCCC2)no1
InChIInChI=1S/C21H28N2O3/c1-2-3-9-14-25-19-13-8-7-12-17(19)20-15-18(23-26-20)21(24)22-16-10-5-4-6-11-16/h7-8,12-13,15-16H,2-6,9-11,14H2,1H3,(H,22,24)
InChIKeyYSXOIXMWQLINBB-UHFFFAOYSA-N
XLogP4.97
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Nms-E973
CID 135566652
Gsk481
CID 90351311
5-[2,4-Dihydroxy-6-(4-Nitrophenoxy)phenyl]-N-Ethyl-1,2-Oxazole-3-Carboxamide
CID 135566656
5-[2-[4-(dimethylamino)phenoxy]-4,6-dihydroxyphenyl]-N-(1-methylpiperidin-4-yl)-1,2-oxazole-3-carboxamide
CID 136013680
5-[2,4-dihydroxy-6-[4-(propan-2-ylamino)phenoxy]phenyl]-N-(1-methylpiperidin-4-yl)-1,2-oxazole-3-carboxamide
CID 136219394
N-cyclohexyl-5-(4-methylphenyl)-3-isoxazolecarboxamide
CID 1093785
N-(4-methoxyphenyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 1093730
N-(furan-2-ylmethyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 973870
N-[3-(4-morpholinyl)propyl]-5-phenyl-3-isoxazolecarboxamide
CID 2217157
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-~{N}-(3-methoxyphenyl)benzamide
CID 25163346
N-[(1S)-2-[(4-methoxy-2,5-dimethylphenyl)methylamino]-1-phenylethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 118796836
N-tert-butyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 2111790

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-(2-pentoxyphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-cyclohexyl-5-(2-pentoxyphenyl)-1,2-oxazole-3-carboxamide (CID 71769418) is N-cyclohexyl-5-(2-pentoxyphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-5-(2-pentoxyphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-cyclohexyl-5-(2-pentoxyphenyl)-1,2-oxazole-3-carboxamide is CCCCCOc1ccccc1-c1cc(C(=O)NC2CCCCC2)no1.
What is the InChIKey of N-cyclohexyl-5-(2-pentoxyphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is YSXOIXMWQLINBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-2-3-9-14-25-19-13-8-7-12-17(19)20-15-18(23-26-20)21(24)22-16-10-5-4-6-11-16/h7-8,12-13,15-16H,2-6,9-11,14H2,1H3,(H,22,24).
What are the key properties of N-cyclohexyl-5-(2-pentoxyphenyl)-1,2-oxazole-3-carboxamide?
N-cyclohexyl-5-(2-pentoxyphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 356.47 g/mol, XLogP of 4.97, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-(2-pentoxyphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 71769418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).