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

C22H28N2O3 — CID 78808885

IUPACN-[(2-butyl-1-benzofuran-3-yl)methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropanamide
SMILESCCCCc1oc2ccccc2c1CN(C)C(=O)CCc1c(C)noc1C
InChIInChI=1S/C22H28N2O3/c1-5-6-10-21-19(18-9-7-8-11-20(18)26-21)14-24(4)22(25)13-12-17-15(2)23-27-16(17)3/h7-9,11H,5-6,10,12-14H2,1-4H3
InChIKeyXPVJKNVVHRBVCK-UHFFFAOYSA-N
MW368.48 g/mol
LogP4.97
Rot. Bonds8

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

N-[(2-butyl-1-benzofuran-3-yl)methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropanamide (PubChem CID 78808885) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[(2-butyl-1-benzofuran-3-yl)methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropanamide.

Molecular Properties

Compound NameN-[(2-butyl-1-benzofuran-3-yl)methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropanamide
PubChem CID78808885
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC NameN-[(2-butyl-1-benzofuran-3-yl)methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropanamide
SMILESCCCCc1oc2ccccc2c1CN(C)C(=O)CCc1c(C)noc1C
InChIInChI=1S/C22H28N2O3/c1-5-6-10-21-19(18-9-7-8-11-20(18)26-21)14-24(4)22(25)13-12-17-15(2)23-27-16(17)3/h7-9,11H,5-6,10,12-14H2,1-4H3
InChIKeyXPVJKNVVHRBVCK-UHFFFAOYSA-N
XLogP4.97
TPSA59.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-butyl-1-benzofuran-3-yl)methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropanamide?
The IUPAC name of N-[(2-butyl-1-benzofuran-3-yl)methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropanamide (CID 78808885) is N-[(2-butyl-1-benzofuran-3-yl)methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropanamide.
What is the SMILES notation for N-[(2-butyl-1-benzofuran-3-yl)methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropanamide?
The canonical SMILES for N-[(2-butyl-1-benzofuran-3-yl)methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropanamide is CCCCc1oc2ccccc2c1CN(C)C(=O)CCc1c(C)noc1C.
What is the InChIKey of N-[(2-butyl-1-benzofuran-3-yl)methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropanamide?
The InChIKey is XPVJKNVVHRBVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-5-6-10-21-19(18-9-7-8-11-20(18)26-21)14-24(4)22(25)13-12-17-15(2)23-27-16(17)3/h7-9,11H,5-6,10,12-14H2,1-4H3.
What are the key properties of N-[(2-butyl-1-benzofuran-3-yl)methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropanamide?
N-[(2-butyl-1-benzofuran-3-yl)methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropanamide has a molecular weight of 368.48 g/mol, XLogP of 4.97, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-butyl-1-benzofuran-3-yl)methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropanamide is sourced from PubChem (CID 78808885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).