N-[[2-(4-tert-butylphenyl)-1,3-oxazol-4-yl]methyl]-1-(5-methylfuran-2-yl)methanamine

C20H24N2O2 — CID 56672898

IUPACN-[[2-(4-tert-butylphenyl)-1,3-oxazol-4-yl]methyl]-1-(5-methylfuran-2-yl)methanamine
SMILESCc1ccc(CNCc2coc(-c3ccc(C(C)(C)C)cc3)n2)o1
InChIInChI=1S/C20H24N2O2/c1-14-5-10-18(24-14)12-21-11-17-13-23-19(22-17)15-6-8-16(9-7-15)20(2,3)4/h5-10,13,21H,11-12H2,1-4H3
InChIKeyJVNTZRCPPPDXJF-UHFFFAOYSA-N
MW324.42 g/mol
LogP4.83
Rot. Bonds5

About N-[[2-(4-tert-butylphenyl)-1,3-oxazol-4-yl]methyl]-1-(5-methylfuran-2-yl)methanamine

N-[[2-(4-tert-butylphenyl)-1,3-oxazol-4-yl]methyl]-1-(5-methylfuran-2-yl)methanamine (PubChem CID 56672898) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is N-[[2-(4-tert-butylphenyl)-1,3-oxazol-4-yl]methyl]-1-(5-methylfuran-2-yl)methanamine.

Molecular Properties

Compound NameN-[[2-(4-tert-butylphenyl)-1,3-oxazol-4-yl]methyl]-1-(5-methylfuran-2-yl)methanamine
PubChem CID56672898
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC NameN-[[2-(4-tert-butylphenyl)-1,3-oxazol-4-yl]methyl]-1-(5-methylfuran-2-yl)methanamine
SMILESCc1ccc(CNCc2coc(-c3ccc(C(C)(C)C)cc3)n2)o1
InChIInChI=1S/C20H24N2O2/c1-14-5-10-18(24-14)12-21-11-17-13-23-19(22-17)15-6-8-16(9-7-15)20(2,3)4/h5-10,13,21H,11-12H2,1-4H3
InChIKeyJVNTZRCPPPDXJF-UHFFFAOYSA-N
XLogP4.83
TPSA51.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-Fluorophenyl)-5-[(furan-2-ylmethyl)amino]-1,3-oxazole-4-carbonitrile
CID 854897
5-(2-Furanylmethylamino)-2-(3-methylphenyl)-4-oxazolecarbonitrile
CID 940115
2-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-(furan-2-ylmethyl)acetamide
CID 5075630
N-[[4-[4-(3-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-phenylacetamide
CID 10126996
2-phenyl-N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]acetamide
CID 10150826
N-[[4-[4-(3,6-dihydro-2H-pyridine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-phenylacetamide
CID 10173001
N-[[4-[4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-phenylacetamide
CID 10173261
2-(4-methylphenyl)-N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]acetamide
CID 10194571
2-phenyl-N-[[4-[4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]acetamide
CID 10309516
N-[[4-[4-(azepane-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-phenylacetamide
CID 10309963
2-({[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}thio)-N-(2-furylmethyl)acetamide
CID 16193680
2-(furan-2-yl)-N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]acetamide
CID 44415683

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-tert-butylphenyl)-1,3-oxazol-4-yl]methyl]-1-(5-methylfuran-2-yl)methanamine?
The IUPAC name of N-[[2-(4-tert-butylphenyl)-1,3-oxazol-4-yl]methyl]-1-(5-methylfuran-2-yl)methanamine (CID 56672898) is N-[[2-(4-tert-butylphenyl)-1,3-oxazol-4-yl]methyl]-1-(5-methylfuran-2-yl)methanamine.
What is the SMILES notation for N-[[2-(4-tert-butylphenyl)-1,3-oxazol-4-yl]methyl]-1-(5-methylfuran-2-yl)methanamine?
The canonical SMILES for N-[[2-(4-tert-butylphenyl)-1,3-oxazol-4-yl]methyl]-1-(5-methylfuran-2-yl)methanamine is Cc1ccc(CNCc2coc(-c3ccc(C(C)(C)C)cc3)n2)o1.
What is the InChIKey of N-[[2-(4-tert-butylphenyl)-1,3-oxazol-4-yl]methyl]-1-(5-methylfuran-2-yl)methanamine?
The InChIKey is JVNTZRCPPPDXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-14-5-10-18(24-14)12-21-11-17-13-23-19(22-17)15-6-8-16(9-7-15)20(2,3)4/h5-10,13,21H,11-12H2,1-4H3.
What are the key properties of N-[[2-(4-tert-butylphenyl)-1,3-oxazol-4-yl]methyl]-1-(5-methylfuran-2-yl)methanamine?
N-[[2-(4-tert-butylphenyl)-1,3-oxazol-4-yl]methyl]-1-(5-methylfuran-2-yl)methanamine has a molecular weight of 324.42 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-tert-butylphenyl)-1,3-oxazol-4-yl]methyl]-1-(5-methylfuran-2-yl)methanamine is sourced from PubChem (CID 56672898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).