N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-5-(phenoxymethyl)furan-2-carboxamide

C22H18N2O4 — CID 9467409

IUPACN-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-5-(phenoxymethyl)furan-2-carboxamide
SMILESCc1ccc(-c2cc(NC(=O)c3ccc(COc4ccccc4)o3)on2)cc1
InChIInChI=1S/C22H18N2O4/c1-15-7-9-16(10-8-15)19-13-21(28-24-19)23-22(25)20-12-11-18(27-20)14-26-17-5-3-2-4-6-17/h2-13H,14H2,1H3,(H,23,25)
InChIKeyRLSPHFRTYHCPAD-UHFFFAOYSA-N
MW374.40 g/mol
LogP5.07
Rot. Bonds6

About N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-5-(phenoxymethyl)furan-2-carboxamide

N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-5-(phenoxymethyl)furan-2-carboxamide (PubChem CID 9467409) has the molecular formula C22H18N2O4 and a molecular weight of 374.40 g/mol. Its IUPAC name is N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-5-(phenoxymethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-5-(phenoxymethyl)furan-2-carboxamide
PubChem CID9467409
Molecular FormulaC22H18N2O4
Molecular Weight374.40 g/mol
Exact Mass374.13
IUPAC NameN-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-5-(phenoxymethyl)furan-2-carboxamide
SMILESCc1ccc(-c2cc(NC(=O)c3ccc(COc4ccccc4)o3)on2)cc1
InChIInChI=1S/C22H18N2O4/c1-15-7-9-16(10-8-15)19-13-21(28-24-19)23-22(25)20-12-11-18(27-20)14-26-17-5-3-2-4-6-17/h2-13H,14H2,1H3,(H,23,25)
InChIKeyRLSPHFRTYHCPAD-UHFFFAOYSA-N
XLogP5.07
TPSA77.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.40
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-methylphenoxy)methyl]-N-phenylfuran-2-carboxamide
CID 7454734
N'-(4-methylbenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 7979169
N-(3-methylphenyl)-5-(phenoxymethyl)furan-2-carboxamide
CID 7464174
5-[(3,5-dimethylphenoxy)methyl]-N-(4-phenylphenyl)furan-2-carboxamide
CID 19463303
3-[[5-[(4-methylphenoxy)methyl]furan-2-carbonyl]amino]pyridine-2-carboxylic acid
CID 167753495
N-methyl-5-(phenoxymethyl)furan-2-carboxamide
CID 7678218
5-[(3-methylphenoxy)methyl]-N-(2-phenylsulfanylphenyl)furan-2-carboxamide
CID 19465579
N-(3,4-dimethylphenyl)-5-[(4-methylphenoxy)methyl]furan-2-carboxamide
CID 18830628
N-(2,4-dichlorophenyl)-5-[(4-methylphenoxy)methyl]furan-2-carboxamide
CID 18830642
5-[(4-bromophenoxy)methyl]-N-(2,5-dimethylphenyl)furan-2-carboxamide
CID 19413541
N-(2-chlorophenyl)-5-(phenoxymethyl)furan-2-carboxamide
CID 7679417
N-(3-methylbutan-2-yl)-5-[(4-methylphenoxy)methyl]furan-2-carboxamide
CID 43048903

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-5-(phenoxymethyl)furan-2-carboxamide?
The IUPAC name of N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-5-(phenoxymethyl)furan-2-carboxamide (CID 9467409) is N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-5-(phenoxymethyl)furan-2-carboxamide.
What is the SMILES notation for N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-5-(phenoxymethyl)furan-2-carboxamide?
The canonical SMILES for N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-5-(phenoxymethyl)furan-2-carboxamide is Cc1ccc(-c2cc(NC(=O)c3ccc(COc4ccccc4)o3)on2)cc1.
What is the InChIKey of N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-5-(phenoxymethyl)furan-2-carboxamide?
The InChIKey is RLSPHFRTYHCPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O4/c1-15-7-9-16(10-8-15)19-13-21(28-24-19)23-22(25)20-12-11-18(27-20)14-26-17-5-3-2-4-6-17/h2-13H,14H2,1H3,(H,23,25).
What are the key properties of N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-5-(phenoxymethyl)furan-2-carboxamide?
N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-5-(phenoxymethyl)furan-2-carboxamide has a molecular weight of 374.40 g/mol, XLogP of 5.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-5-(phenoxymethyl)furan-2-carboxamide is sourced from PubChem (CID 9467409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).