N-(4-butoxyphenyl)-3-methyl-1,2-oxazole-5-carboxamide

C15H18N2O3 — CID 43911364

IUPACN-(4-butoxyphenyl)-3-methyl-1,2-oxazole-5-carboxamide
SMILESCCCCOc1ccc(NC(=O)c2cc(C)no2)cc1
InChIInChI=1S/C15H18N2O3/c1-3-4-9-19-13-7-5-12(6-8-13)16-15(18)14-10-11(2)17-20-14/h5-8,10H,3-4,9H2,1-2H3,(H,16,18)
InChIKeyQIEUWTHXYNPHFW-UHFFFAOYSA-N
MW274.32 g/mol
LogP3.41
Rot. Bonds6

About N-(4-butoxyphenyl)-3-methyl-1,2-oxazole-5-carboxamide

N-(4-butoxyphenyl)-3-methyl-1,2-oxazole-5-carboxamide (PubChem CID 43911364) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-(4-butoxyphenyl)-3-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-butoxyphenyl)-3-methyl-1,2-oxazole-5-carboxamide
PubChem CID43911364
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC NameN-(4-butoxyphenyl)-3-methyl-1,2-oxazole-5-carboxamide
SMILESCCCCOc1ccc(NC(=O)c2cc(C)no2)cc1
InChIInChI=1S/C15H18N2O3/c1-3-4-9-19-13-7-5-12(6-8-13)16-15(18)14-10-11(2)17-20-14/h5-8,10H,3-4,9H2,1-2H3,(H,16,18)
InChIKeyQIEUWTHXYNPHFW-UHFFFAOYSA-N
XLogP3.41
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 53.41
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

3-methyl-N-[4-(2-phenoxyethoxy)phenyl]-1,2-oxazole-5-carboxamide
CID 43911371
N-[4-(aminomethyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 104954922
N-[4-(3-methoxypropylcarbamoyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 43911440
3-methyl-N-(4-methylsulfanylphenyl)-1,2-oxazole-5-carboxamide
CID 16880199
N-(4-carbamoylphenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 21432228
N-(4-benzamidophenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 43911460
3-[4-[(3-methyl-1,2-oxazole-5-carbonyl)amino]phenyl]propanoic acid
CID 75513517
N-[4-(3-aminoprop-1-ynyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 54922392
3-methyl-N-[4-[(propan-2-ylamino)methyl]phenyl]-1,2-oxazole-5-carboxamide
CID 106910483
N-[4-(4-hydroxybut-1-ynyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 60804396
3-methyl-N-pentyl-1,2-oxazole-5-carboxamide
CID 137320445
2-methyl-3-[4-[(3-methyl-1,2-oxazole-5-carbonyl)amino]phenyl]propanoic acid
CID 120540971

Frequently Asked Questions

What is the IUPAC name of N-(4-butoxyphenyl)-3-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(4-butoxyphenyl)-3-methyl-1,2-oxazole-5-carboxamide (CID 43911364) is N-(4-butoxyphenyl)-3-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(4-butoxyphenyl)-3-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(4-butoxyphenyl)-3-methyl-1,2-oxazole-5-carboxamide is CCCCOc1ccc(NC(=O)c2cc(C)no2)cc1.
What is the InChIKey of N-(4-butoxyphenyl)-3-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is QIEUWTHXYNPHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-3-4-9-19-13-7-5-12(6-8-13)16-15(18)14-10-11(2)17-20-14/h5-8,10H,3-4,9H2,1-2H3,(H,16,18).
What are the key properties of N-(4-butoxyphenyl)-3-methyl-1,2-oxazole-5-carboxamide?
N-(4-butoxyphenyl)-3-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butoxyphenyl)-3-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 43911364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).