5-(2,4-dibutoxy-5-chlorophenyl)-N-ethyl-4-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide

C27H33ClN2O5 — CID 70895951

IUPAC5-(2,4-dibutoxy-5-chlorophenyl)-N-ethyl-4-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCCCCOc1cc(OCCCC)c(-c2onc(C(=O)NCC)c2-c2ccc(OC)cc2)cc1Cl
InChIInChI=1S/C27H33ClN2O5/c1-5-8-14-33-22-17-23(34-15-9-6-2)21(28)16-20(22)26-24(18-10-12-19(32-4)13-11-18)25(30-35-26)27(31)29-7-3/h10-13,16-17H,5-9,14-15H2,1-4H3,(H,29,31)
InChIKeyUZSJQHQEPQEBSG-UHFFFAOYSA-N
MW501.02 g/mol
LogP6.78
Rot. Bonds13

About 5-(2,4-dibutoxy-5-chlorophenyl)-N-ethyl-4-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide

5-(2,4-dibutoxy-5-chlorophenyl)-N-ethyl-4-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 70895951) has the molecular formula C27H33ClN2O5 and a molecular weight of 501.02 g/mol. Its IUPAC name is 5-(2,4-dibutoxy-5-chlorophenyl)-N-ethyl-4-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(2,4-dibutoxy-5-chlorophenyl)-N-ethyl-4-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
PubChem CID70895951
Molecular FormulaC27H33ClN2O5
Molecular Weight501.02 g/mol
Exact Mass500.21
IUPAC Name5-(2,4-dibutoxy-5-chlorophenyl)-N-ethyl-4-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCCCCOc1cc(OCCCC)c(-c2onc(C(=O)NCC)c2-c2ccc(OC)cc2)cc1Cl
InChIInChI=1S/C27H33ClN2O5/c1-5-8-14-33-22-17-23(34-15-9-6-2)21(28)16-20(22)26-24(18-10-12-19(32-4)13-11-18)25(30-35-26)27(31)29-7-3/h10-13,16-17H,5-9,14-15H2,1-4H3,(H,29,31)
InChIKeyUZSJQHQEPQEBSG-UHFFFAOYSA-N
XLogP6.78
TPSA82.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.02
LogP ≤ 56.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-[5-chloro-2,4-bis(phenylmethoxy)phenyl]-N-ethyl-4-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 24774440
4-acetamido-5-(2,4-dibutoxy-5-chlorophenyl)-N-ethyl-1,2-oxazole-3-carboxamide
CID 71272950
5-[5-chloro-2-hydroxy-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphenyl]-N-ethyl-4-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 146297700
5-(5-bromo-2,4-dibutoxyphenyl)-N-ethyl-4-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-1,2-oxazole-3-carboxamide
CID 122429977
5-(5-chloro-2,4-dihydroxyphenyl)-N-(2-fluoroethyl)-4-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 143528322
5-(2,4-dibutoxy-5-propan-2-ylphenyl)-N-ethyl-4-(2,3,4,5-tetrahydro-1H-2-benzazepin-7-yl)-1,2-oxazole-3-carboxamide
CID 122430033
[5-(2,4-dibutoxy-5-chlorophenyl)-4-(4-fluorophenyl)-1,2-oxazol-3-yl]methanamine
CID 70811258
5-[2-butoxy-4-hydroxy-5-(2-methylpropyl)phenyl]-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 136624722
5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-[4-(2,2,4,4-tetramethylhexoxy)phenyl]-1,2-oxazole-3-carboxamide;N-hydroxyformamide
CID 143645485
ethyl 5-[[5-(5-chloro-2,4-dihydroxyphenyl)-4-(4-methoxyphenyl)-1,2-oxazole-3-carbonyl]amino]-3,3,5-trimethylhexanoate
CID 143778008
4-[4-(diethylaminomethyl)phenyl]-N-ethyl-5-[5-phenyl-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxamide
CID 24773881
N-ethyl-4-(4-formylphenyl)-5-[5-(2-phenylethyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxamide
CID 24773534

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dibutoxy-5-chlorophenyl)-N-ethyl-4-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(2,4-dibutoxy-5-chlorophenyl)-N-ethyl-4-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide (CID 70895951) is 5-(2,4-dibutoxy-5-chlorophenyl)-N-ethyl-4-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(2,4-dibutoxy-5-chlorophenyl)-N-ethyl-4-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(2,4-dibutoxy-5-chlorophenyl)-N-ethyl-4-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide is CCCCOc1cc(OCCCC)c(-c2onc(C(=O)NCC)c2-c2ccc(OC)cc2)cc1Cl.
What is the InChIKey of 5-(2,4-dibutoxy-5-chlorophenyl)-N-ethyl-4-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is UZSJQHQEPQEBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33ClN2O5/c1-5-8-14-33-22-17-23(34-15-9-6-2)21(28)16-20(22)26-24(18-10-12-19(32-4)13-11-18)25(30-35-26)27(31)29-7-3/h10-13,16-17H,5-9,14-15H2,1-4H3,(H,29,31).
What are the key properties of 5-(2,4-dibutoxy-5-chlorophenyl)-N-ethyl-4-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide?
5-(2,4-dibutoxy-5-chlorophenyl)-N-ethyl-4-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 501.02 g/mol, XLogP of 6.78, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dibutoxy-5-chlorophenyl)-N-ethyl-4-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 70895951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).