N-[2-(dimethylamino)ethyl]-4-methyl-2-phenyl-N-(pyridin-2-ylmethyl)-1,3-oxazole-5-carboxamide

C21H24N4O2 — CID 126773744

IUPACN-[2-(dimethylamino)ethyl]-4-methyl-2-phenyl-N-(pyridin-2-ylmethyl)-1,3-oxazole-5-carboxamide
SMILESCc1nc(-c2ccccc2)oc1C(=O)N(CCN(C)C)Cc1ccccn1
InChIInChI=1S/C21H24N4O2/c1-16-19(27-20(23-16)17-9-5-4-6-10-17)21(26)25(14-13-24(2)3)15-18-11-7-8-12-22-18/h4-12H,13-15H2,1-3H3
InChIKeyDCJKWTKNWRTRGG-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.25
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-4-methyl-2-phenyl-N-(pyridin-2-ylmethyl)-1,3-oxazole-5-carboxamide

N-[2-(dimethylamino)ethyl]-4-methyl-2-phenyl-N-(pyridin-2-ylmethyl)-1,3-oxazole-5-carboxamide (PubChem CID 126773744) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-4-methyl-2-phenyl-N-(pyridin-2-ylmethyl)-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-4-methyl-2-phenyl-N-(pyridin-2-ylmethyl)-1,3-oxazole-5-carboxamide
PubChem CID126773744
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC NameN-[2-(dimethylamino)ethyl]-4-methyl-2-phenyl-N-(pyridin-2-ylmethyl)-1,3-oxazole-5-carboxamide
SMILESCc1nc(-c2ccccc2)oc1C(=O)N(CCN(C)C)Cc1ccccn1
InChIInChI=1S/C21H24N4O2/c1-16-19(27-20(23-16)17-9-5-4-6-10-17)21(26)25(14-13-24(2)3)15-18-11-7-8-12-22-18/h4-12H,13-15H2,1-3H3
InChIKeyDCJKWTKNWRTRGG-UHFFFAOYSA-N
XLogP3.25
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(3-acetyloxyphenyl)-4-methyl-1,3-oxazole-5-carbonyl]-(pyridin-2-ylmethyl)amino]acetic acid
CID 24805060
N-[2-(dimethylamino)ethyl]-5-ethyl-N-(pyridin-2-ylmethyl)furan-2-carboxamide
CID 56783054
3-[(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)-(2-methylpropyl)amino]propanoic acid
CID 120516514
2-[(2-aminophenyl)methyl-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)amino]acetic acid
CID 44571126
2-[[5-(chloromethyl)-2-phenyl-1,3-oxazole-4-carbonyl]-(pyridin-2-ylmethyl)amino]acetic acid
CID 68708511
copper;bis(N'-[2-(dimethylamino)ethyl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine);hydrogen peroxide
CID 58058036
2-[[2-(4-bromophenyl)-5-methyl-1,3-oxazole-4-carbonyl]-(pyridin-2-ylmethyl)amino]acetic acid
CID 24802747
2-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazole-4-carbonyl]-(pyridin-2-ylmethyl)amino]acetic acid
CID 44570996
2-(dimethylamino)-N-[(5-methylfuran-2-yl)methyl]-N-(pyridin-2-ylmethyl)acetamide
CID 167784536
3-[3-ethoxypropyl-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)amino]-2-methylpropanoic acid
CID 120520336
2-[2-(dimethylamino)ethyl-(2-pyridin-2-ylacetyl)amino]acetic acid
CID 107424052
1-[methyl-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120540320

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-4-methyl-2-phenyl-N-(pyridin-2-ylmethyl)-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-4-methyl-2-phenyl-N-(pyridin-2-ylmethyl)-1,3-oxazole-5-carboxamide (CID 126773744) is N-[2-(dimethylamino)ethyl]-4-methyl-2-phenyl-N-(pyridin-2-ylmethyl)-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-4-methyl-2-phenyl-N-(pyridin-2-ylmethyl)-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-4-methyl-2-phenyl-N-(pyridin-2-ylmethyl)-1,3-oxazole-5-carboxamide is Cc1nc(-c2ccccc2)oc1C(=O)N(CCN(C)C)Cc1ccccn1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-4-methyl-2-phenyl-N-(pyridin-2-ylmethyl)-1,3-oxazole-5-carboxamide?
The InChIKey is DCJKWTKNWRTRGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-16-19(27-20(23-16)17-9-5-4-6-10-17)21(26)25(14-13-24(2)3)15-18-11-7-8-12-22-18/h4-12H,13-15H2,1-3H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-4-methyl-2-phenyl-N-(pyridin-2-ylmethyl)-1,3-oxazole-5-carboxamide?
N-[2-(dimethylamino)ethyl]-4-methyl-2-phenyl-N-(pyridin-2-ylmethyl)-1,3-oxazole-5-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 3.25, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-4-methyl-2-phenyl-N-(pyridin-2-ylmethyl)-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 126773744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).