N-(4-butylphenyl)-5-(4-propan-2-yloxyphenyl)-1,2-oxazole-3-carboxamide

C23H26N2O3 — CID 52904535

IUPACN-(4-butylphenyl)-5-(4-propan-2-yloxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCCCCc1ccc(NC(=O)c2cc(-c3ccc(OC(C)C)cc3)on2)cc1
InChIInChI=1S/C23H26N2O3/c1-4-5-6-17-7-11-19(12-8-17)24-23(26)21-15-22(28-25-21)18-9-13-20(14-10-18)27-16(2)3/h7-16H,4-6H2,1-3H3,(H,24,26)
InChIKeyJVMYTUHBBWDBGA-UHFFFAOYSA-N
MW378.47 g/mol
LogP5.72
Rot. Bonds8

About N-(4-butylphenyl)-5-(4-propan-2-yloxyphenyl)-1,2-oxazole-3-carboxamide

N-(4-butylphenyl)-5-(4-propan-2-yloxyphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 52904535) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is N-(4-butylphenyl)-5-(4-propan-2-yloxyphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-5-(4-propan-2-yloxyphenyl)-1,2-oxazole-3-carboxamide
PubChem CID52904535
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC NameN-(4-butylphenyl)-5-(4-propan-2-yloxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCCCCc1ccc(NC(=O)c2cc(-c3ccc(OC(C)C)cc3)on2)cc1
InChIInChI=1S/C23H26N2O3/c1-4-5-6-17-7-11-19(12-8-17)24-23(26)21-15-22(28-25-21)18-9-13-20(14-10-18)27-16(2)3/h7-16H,4-6H2,1-3H3,(H,24,26)
InChIKeyJVMYTUHBBWDBGA-UHFFFAOYSA-N
XLogP5.72
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.47
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-5-(4-propan-2-yloxyphenyl)-1,2-oxazole-3-carboxamide
CID 52904543
N-(5-methyl-1,2-oxazol-3-yl)-5-(4-propan-2-yloxyphenyl)-1,2-oxazole-3-carboxamide
CID 52904581
methyl 5-(4-butylphenyl)-1,2-oxazole-3-carboxylate
CID 154791681
5-(4-butoxyphenyl)-N-(4-methylsulfonylphenyl)-1,2-oxazole-3-carboxamide
CID 171691982
5-(4-propan-2-yloxyphenyl)-N-(1,3-thiazol-2-yl)-1,2-oxazole-3-carboxamide
CID 52904574
5-(4-propan-2-yloxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 52904562
5-(4-ethoxyphenyl)-N-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 17010994
N-[(2-chlorophenyl)methyl]-5-(4-propan-2-yloxyphenyl)-1,2-oxazole-3-carboxamide
CID 52904542
N-(4-bromophenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 17252843
N-[2-[(3,5-dimethylphenyl)methylsulfanyl]phenyl]-5-(4-propan-2-yloxyphenyl)-1,2-oxazole-3-carboxamide
CID 171703768
N-butyl-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 3244327
5-(furan-2-yl)-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]-1,2-oxazole-3-carboxamide
CID 55990483

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-5-(4-propan-2-yloxyphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(4-butylphenyl)-5-(4-propan-2-yloxyphenyl)-1,2-oxazole-3-carboxamide (CID 52904535) is N-(4-butylphenyl)-5-(4-propan-2-yloxyphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(4-butylphenyl)-5-(4-propan-2-yloxyphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(4-butylphenyl)-5-(4-propan-2-yloxyphenyl)-1,2-oxazole-3-carboxamide is CCCCc1ccc(NC(=O)c2cc(-c3ccc(OC(C)C)cc3)on2)cc1.
What is the InChIKey of N-(4-butylphenyl)-5-(4-propan-2-yloxyphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is JVMYTUHBBWDBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-4-5-6-17-7-11-19(12-8-17)24-23(26)21-15-22(28-25-21)18-9-13-20(14-10-18)27-16(2)3/h7-16H,4-6H2,1-3H3,(H,24,26).
What are the key properties of N-(4-butylphenyl)-5-(4-propan-2-yloxyphenyl)-1,2-oxazole-3-carboxamide?
N-(4-butylphenyl)-5-(4-propan-2-yloxyphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 378.47 g/mol, XLogP of 5.72, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-5-(4-propan-2-yloxyphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 52904535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).