N-(3-hydroxypropyl)-N-methyl-4-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]benzamide

C22H24N2O4 — CID 155555605

IUPACN-(3-hydroxypropyl)-N-methyl-4-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]benzamide
SMILESCc1onc(-c2ccccc2)c1COc1ccc(C(=O)N(C)CCCO)cc1
InChIInChI=1S/C22H24N2O4/c1-16-20(21(23-28-16)17-7-4-3-5-8-17)15-27-19-11-9-18(10-12-19)22(26)24(2)13-6-14-25/h3-5,7-12,25H,6,13-15H2,1-2H3
InChIKeyZMEQKGUDCFYIDN-UHFFFAOYSA-N
MW380.44 g/mol
LogP3.68
Rot. Bonds8

About N-(3-hydroxypropyl)-N-methyl-4-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]benzamide

N-(3-hydroxypropyl)-N-methyl-4-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]benzamide (PubChem CID 155555605) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-N-methyl-4-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]benzamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-N-methyl-4-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]benzamide
PubChem CID155555605
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC NameN-(3-hydroxypropyl)-N-methyl-4-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]benzamide
SMILESCc1onc(-c2ccccc2)c1COc1ccc(C(=O)N(C)CCCO)cc1
InChIInChI=1S/C22H24N2O4/c1-16-20(21(23-28-16)17-7-4-3-5-8-17)15-27-19-11-9-18(10-12-19)22(26)24(2)13-6-14-25/h3-5,7-12,25H,6,13-15H2,1-2H3
InChIKeyZMEQKGUDCFYIDN-UHFFFAOYSA-N
XLogP3.68
TPSA75.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-N-methyl-4-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]benzamide?
The IUPAC name of N-(3-hydroxypropyl)-N-methyl-4-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]benzamide (CID 155555605) is N-(3-hydroxypropyl)-N-methyl-4-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]benzamide.
What is the SMILES notation for N-(3-hydroxypropyl)-N-methyl-4-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]benzamide?
The canonical SMILES for N-(3-hydroxypropyl)-N-methyl-4-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]benzamide is Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)N(C)CCCO)cc1.
What is the InChIKey of N-(3-hydroxypropyl)-N-methyl-4-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]benzamide?
The InChIKey is ZMEQKGUDCFYIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-16-20(21(23-28-16)17-7-4-3-5-8-17)15-27-19-11-9-18(10-12-19)22(26)24(2)13-6-14-25/h3-5,7-12,25H,6,13-15H2,1-2H3.
What are the key properties of N-(3-hydroxypropyl)-N-methyl-4-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]benzamide?
N-(3-hydroxypropyl)-N-methyl-4-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]benzamide has a molecular weight of 380.44 g/mol, XLogP of 3.68, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-N-methyl-4-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]benzamide is sourced from PubChem (CID 155555605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).