N-(2-methoxyethyl)-2-[[(3-methylphenyl)methyl-propan-2-ylamino]methyl]-1,3-oxazole-4-carboxamide

C19H27N3O3 — CID 42835099

IUPACN-(2-methoxyethyl)-2-[[(3-methylphenyl)methyl-propan-2-ylamino]methyl]-1,3-oxazole-4-carboxamide
SMILESCOCCNC(=O)c1coc(CN(Cc2cccc(C)c2)C(C)C)n1
InChIInChI=1S/C19H27N3O3/c1-14(2)22(11-16-7-5-6-15(3)10-16)12-18-21-17(13-25-18)19(23)20-8-9-24-4/h5-7,10,13-14H,8-9,11-12H2,1-4H3,(H,20,23)
InChIKeyYIXYGMWYGCRLDD-UHFFFAOYSA-N
MW345.44 g/mol
LogP2.77
Rot. Bonds9

About N-(2-methoxyethyl)-2-[[(3-methylphenyl)methyl-propan-2-ylamino]methyl]-1,3-oxazole-4-carboxamide

N-(2-methoxyethyl)-2-[[(3-methylphenyl)methyl-propan-2-ylamino]methyl]-1,3-oxazole-4-carboxamide (PubChem CID 42835099) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[[(3-methylphenyl)methyl-propan-2-ylamino]methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[[(3-methylphenyl)methyl-propan-2-ylamino]methyl]-1,3-oxazole-4-carboxamide
PubChem CID42835099
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC NameN-(2-methoxyethyl)-2-[[(3-methylphenyl)methyl-propan-2-ylamino]methyl]-1,3-oxazole-4-carboxamide
SMILESCOCCNC(=O)c1coc(CN(Cc2cccc(C)c2)C(C)C)n1
InChIInChI=1S/C19H27N3O3/c1-14(2)22(11-16-7-5-6-15(3)10-16)12-18-21-17(13-25-18)19(23)20-8-9-24-4/h5-7,10,13-14H,8-9,11-12H2,1-4H3,(H,20,23)
InChIKeyYIXYGMWYGCRLDD-UHFFFAOYSA-N
XLogP2.77
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(furan-2-ylmethyl)-2-[[(3-methylphenyl)methyl-propan-2-ylamino]methyl]-1,3-oxazole-4-carboxamide
CID 42835100
2-[[(4-fluorophenyl)methyl-[(3-methylphenyl)methyl]amino]methyl]-N-(2-methoxyethyl)-1,3-oxazole-4-carboxamide
CID 46000364
N-(2-methoxyethyl)-2-[[(3-phenoxyphenyl)methyl-[(1R)-1-phenylethyl]amino]methyl]-1,3-oxazole-4-carboxamide
CID 93156712
2-[[(3-methoxyphenyl)methyl-propan-2-ylamino]methyl]-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide
CID 42835084
N-(2-methoxyethyl)-2-[[1-phenylethyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-oxazole-4-carboxamide
CID 46149284
2-[[butan-2-yl-[(4-fluorophenyl)methyl]amino]methyl]-N-(2-methoxyethyl)-1,3-oxazole-4-carboxamide
CID 42834337
N-[2-(dimethylamino)ethyl]-2-[[(3-methoxyphenyl)methyl-[(2S)-3-methylbutan-2-yl]amino]methyl]-1,3-oxazole-4-carboxamide
CID 93155495
N-(2-methoxyethyl)-2-[[1-phenylethyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-oxazole-4-carboxamide
CID 42833028
2-[[(3-methoxyphenyl)methyl-propan-2-ylamino]methyl]-N-(oxolan-2-ylmethyl)-1,3-oxazole-4-carboxamide
CID 42835092
N-butan-2-yl-2-[[(4-methylphenyl)methyl-propan-2-ylamino]methyl]-1,3-oxazole-4-carboxamide
CID 42834911
N-benzyl-2-[[(2-methylphenyl)methyl-propan-2-ylamino]methyl]-1,3-oxazole-4-carboxamide
CID 42835074
N-(2-methoxyethyl)-2-[[2-methoxyethyl-(4-methylbenzoyl)amino]methyl]-1,3-oxazole-4-carboxamide
CID 4037478

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[[(3-methylphenyl)methyl-propan-2-ylamino]methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-2-[[(3-methylphenyl)methyl-propan-2-ylamino]methyl]-1,3-oxazole-4-carboxamide (CID 42835099) is N-(2-methoxyethyl)-2-[[(3-methylphenyl)methyl-propan-2-ylamino]methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[[(3-methylphenyl)methyl-propan-2-ylamino]methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[[(3-methylphenyl)methyl-propan-2-ylamino]methyl]-1,3-oxazole-4-carboxamide is COCCNC(=O)c1coc(CN(Cc2cccc(C)c2)C(C)C)n1.
What is the InChIKey of N-(2-methoxyethyl)-2-[[(3-methylphenyl)methyl-propan-2-ylamino]methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is YIXYGMWYGCRLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-14(2)22(11-16-7-5-6-15(3)10-16)12-18-21-17(13-25-18)19(23)20-8-9-24-4/h5-7,10,13-14H,8-9,11-12H2,1-4H3,(H,20,23).
What are the key properties of N-(2-methoxyethyl)-2-[[(3-methylphenyl)methyl-propan-2-ylamino]methyl]-1,3-oxazole-4-carboxamide?
N-(2-methoxyethyl)-2-[[(3-methylphenyl)methyl-propan-2-ylamino]methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 345.44 g/mol, XLogP of 2.77, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[[(3-methylphenyl)methyl-propan-2-ylamino]methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 42835099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).