N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide

C18H20N2O4 — CID 42990131

IUPACN-methyl-N-[(5-methylfuran-2-yl)methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
SMILESCc1ccc(CN(C)C(=O)CCCn2c(=O)oc3ccccc32)o1
InChIInChI=1S/C18H20N2O4/c1-13-9-10-14(23-13)12-19(2)17(21)8-5-11-20-15-6-3-4-7-16(15)24-18(20)22/h3-4,6-7,9-10H,5,8,11-12H2,1-2H3
InChIKeyQZBLGUMCYSEZOQ-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.93
Rot. Bonds6

About N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide

N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide (PubChem CID 42990131) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide.

Molecular Properties

Compound NameN-methyl-N-[(5-methylfuran-2-yl)methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
PubChem CID42990131
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC NameN-methyl-N-[(5-methylfuran-2-yl)methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
SMILESCc1ccc(CN(C)C(=O)CCCn2c(=O)oc3ccccc32)o1
InChIInChI=1S/C18H20N2O4/c1-13-9-10-14(23-13)12-19(2)17(21)8-5-11-20-15-6-3-4-7-16(15)24-18(20)22/h3-4,6-7,9-10H,5,8,11-12H2,1-2H3
InChIKeyQZBLGUMCYSEZOQ-UHFFFAOYSA-N
XLogP2.93
TPSA68.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide with MolForge

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Related Compounds

N-[(4-ethoxyphenyl)methyl]-N-methyl-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 18113379
N-[(3-chlorophenyl)methyl]-N-methyl-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 18081180
N-[(2,4-dimethylphenyl)methyl]-N-methyl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 9228097
N-methyl-4-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1R)-1-phenylethyl]butanamide
CID 32906627
[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 46819613
3-(4-oxohexyl)-1,3-benzoxazol-2-one
CID 106801664
N-[1-(4-methoxyphenyl)ethyl]-N-methyl-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 55560577
N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 32757922
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 43035572
7-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]heptanamide
CID 43514689
N'-methyl-4-(2-oxo-1,3-benzoxazol-3-yl)-N'-phenylbutanehydrazide
CID 18121118
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 7780086

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide?
The IUPAC name of N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide (CID 42990131) is N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide.
What is the SMILES notation for N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide?
The canonical SMILES for N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide is Cc1ccc(CN(C)C(=O)CCCn2c(=O)oc3ccccc32)o1.
What is the InChIKey of N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide?
The InChIKey is QZBLGUMCYSEZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-13-9-10-14(23-13)12-19(2)17(21)8-5-11-20-15-6-3-4-7-16(15)24-18(20)22/h3-4,6-7,9-10H,5,8,11-12H2,1-2H3.
What are the key properties of N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide?
N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide has a molecular weight of 328.37 g/mol, XLogP of 2.93, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide is sourced from PubChem (CID 42990131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).