N-butyl-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carboxamide

C15H20N2O3 — CID 35537550

IUPACN-butyl-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carboxamide
SMILESCCCCNC(=O)c1ccc(Cc2c(C)noc2C)o1
InChIInChI=1S/C15H20N2O3/c1-4-5-8-16-15(18)14-7-6-12(19-14)9-13-10(2)17-20-11(13)3/h6-7H,4-5,8-9H2,1-3H3,(H,16,18)
InChIKeyZSJWVLZRKXCYCC-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.01
Rot. Bonds6

About N-butyl-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carboxamide

N-butyl-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carboxamide (PubChem CID 35537550) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-butyl-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-butyl-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carboxamide
PubChem CID35537550
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN-butyl-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carboxamide
SMILESCCCCNC(=O)c1ccc(Cc2c(C)noc2C)o1
InChIInChI=1S/C15H20N2O3/c1-4-5-8-16-15(18)14-7-6-12(19-14)9-13-10(2)17-20-11(13)3/h6-7H,4-5,8-9H2,1-3H3,(H,16,18)
InChIKeyZSJWVLZRKXCYCC-UHFFFAOYSA-N
XLogP3.01
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.01
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

N-cyclooctyl-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carboxamide
CID 20966695
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-pentylacetamide
CID 26532652
5-(aminomethyl)-N-octylfuran-2-carboxamide
CID 115567865
3-methyl-N-pentyl-1,2-oxazole-5-carboxamide
CID 137320445
5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[4-(2-methylimidazol-1-yl)phenyl]furan-2-carboxamide
CID 35537106
5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[3,5-dimethyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazol-4-yl]furan-2-carboxamide
CID 17026424
N-butyl-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 19463195
5-[(3,5-dimethylphenoxy)methyl]-N-hexylfuran-2-carboxamide
CID 19463237
N-butyl-5-[(3-methylphenyl)sulfinylmethyl]furan-2-carboxamide
CID 22554431
N-butyl-5-[(3-methylphenyl)methylsulfonylmethyl]furan-2-carboxamide
CID 4107785
N-hexyl-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 19414016
N-butyl-5-[(4-chlorophenyl)methylsulfanylmethyl]furan-2-carboxamide
CID 3358106

Frequently Asked Questions

What is the IUPAC name of N-butyl-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carboxamide?
The IUPAC name of N-butyl-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carboxamide (CID 35537550) is N-butyl-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-butyl-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carboxamide?
The canonical SMILES for N-butyl-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carboxamide is CCCCNC(=O)c1ccc(Cc2c(C)noc2C)o1.
What is the InChIKey of N-butyl-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carboxamide?
The InChIKey is ZSJWVLZRKXCYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-4-5-8-16-15(18)14-7-6-12(19-14)9-13-10(2)17-20-11(13)3/h6-7H,4-5,8-9H2,1-3H3,(H,16,18).
What are the key properties of N-butyl-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carboxamide?
N-butyl-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 35537550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).