3-methyl-N-[[3-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide

C20H29N3O2 — CID 167932442

IUPAC3-methyl-N-[[3-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C(C)C)c1C(=O)NCc1cccc(CN(C)C(C)C)c1
InChIInChI=1S/C20H29N3O2/c1-13(2)19-18(15(5)22-25-19)20(24)21-11-16-8-7-9-17(10-16)12-23(6)14(3)4/h7-10,13-14H,11-12H2,1-6H3,(H,21,24)
InChIKeyYXMHLBOMUJYSQF-UHFFFAOYSA-N
MW343.47 g/mol
LogP3.88
Rot. Bonds7

About 3-methyl-N-[[3-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide

3-methyl-N-[[3-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide (PubChem CID 167932442) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 3-methyl-N-[[3-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[[3-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide
PubChem CID167932442
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name3-methyl-N-[[3-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C(C)C)c1C(=O)NCc1cccc(CN(C)C(C)C)c1
InChIInChI=1S/C20H29N3O2/c1-13(2)19-18(15(5)22-25-19)20(24)21-11-16-8-7-9-17(10-16)12-23(6)14(3)4/h7-10,13-14H,11-12H2,1-6H3,(H,21,24)
InChIKeyYXMHLBOMUJYSQF-UHFFFAOYSA-N
XLogP3.88
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-methyl-N-[[3-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide with MolForge

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Related Compounds

3-methyl-5-propan-2-yl-N-[(3-sulfamoylphenyl)methyl]-1,2-oxazole-4-carboxamide
CID 32564082
N-[(3-methoxyphenyl)methyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 29217403
N-[(3,4-dimethoxyphenyl)methyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 9269043
N-[[3-(methoxymethyl)phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 46470743
N-[2-(dimethylamino)-2-phenylethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 75459780
N-[(2-methoxy-3-pyridinyl)methyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 37485588
N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 55800853
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 8944312
N-[2-(2-hydroxyphenyl)ethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 110614864
N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 51095638
3-methyl-5-propan-2-yl-N-propyl-1,2-oxazole-4-carboxamide
CID 60667713
N-[[3-(ethylaminomethyl)phenyl]methyl]-N-methylpropan-2-amine
CID 62423900

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[[3-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-methyl-N-[[3-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide (CID 167932442) is 3-methyl-N-[[3-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-methyl-N-[[3-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-methyl-N-[[3-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide is Cc1noc(C(C)C)c1C(=O)NCc1cccc(CN(C)C(C)C)c1.
What is the InChIKey of 3-methyl-N-[[3-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide?
The InChIKey is YXMHLBOMUJYSQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-13(2)19-18(15(5)22-25-19)20(24)21-11-16-8-7-9-17(10-16)12-23(6)14(3)4/h7-10,13-14H,11-12H2,1-6H3,(H,21,24).
What are the key properties of 3-methyl-N-[[3-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide?
3-methyl-N-[[3-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide has a molecular weight of 343.47 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[[3-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 167932442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).