N-butan-2-yl-2-[[cyclopropylmethyl-[(2-methylphenyl)methyl]amino]methyl]-1,3-oxazole-4-carboxamide

C21H29N3O2 — CID 42834723

IUPACN-butan-2-yl-2-[[cyclopropylmethyl-[(2-methylphenyl)methyl]amino]methyl]-1,3-oxazole-4-carboxamide
SMILESCCC(C)NC(=O)c1coc(CN(Cc2ccccc2C)CC2CC2)n1
InChIInChI=1S/C21H29N3O2/c1-4-16(3)22-21(25)19-14-26-20(23-19)13-24(11-17-9-10-17)12-18-8-6-5-7-15(18)2/h5-8,14,16-17H,4,9-13H2,1-3H3,(H,22,25)
InChIKeyKKLLFSXFLYTPHC-UHFFFAOYSA-N
MW355.48 g/mol
LogP3.92
Rot. Bonds9

About N-butan-2-yl-2-[[cyclopropylmethyl-[(2-methylphenyl)methyl]amino]methyl]-1,3-oxazole-4-carboxamide

N-butan-2-yl-2-[[cyclopropylmethyl-[(2-methylphenyl)methyl]amino]methyl]-1,3-oxazole-4-carboxamide (PubChem CID 42834723) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is N-butan-2-yl-2-[[cyclopropylmethyl-[(2-methylphenyl)methyl]amino]methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[[cyclopropylmethyl-[(2-methylphenyl)methyl]amino]methyl]-1,3-oxazole-4-carboxamide
PubChem CID42834723
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC NameN-butan-2-yl-2-[[cyclopropylmethyl-[(2-methylphenyl)methyl]amino]methyl]-1,3-oxazole-4-carboxamide
SMILESCCC(C)NC(=O)c1coc(CN(Cc2ccccc2C)CC2CC2)n1
InChIInChI=1S/C21H29N3O2/c1-4-16(3)22-21(25)19-14-26-20(23-19)13-24(11-17-9-10-17)12-18-8-6-5-7-15(18)2/h5-8,14,16-17H,4,9-13H2,1-3H3,(H,22,25)
InChIKeyKKLLFSXFLYTPHC-UHFFFAOYSA-N
XLogP3.92
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[cyclopropylmethyl-[(2-methylphenyl)methyl]amino]methyl]-N-[(4-fluorophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 42834726
2-[[benzyl-[(2,5-dimethylphenyl)methyl]amino]methyl]-N-[(2S)-butan-2-yl]-1,3-oxazole-4-carboxamide
CID 93157238
2-[[benzyl-[(2-methylphenyl)methyl]amino]methyl]-N-[(1S)-1-phenylethyl]-1,3-oxazole-4-carboxamide
CID 93158022
2-[[benzyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-N-butan-2-yl-1,3-oxazole-4-carboxamide
CID 46001283
N-butan-2-yl-2-[[butan-2-yl(cyclopropanecarbonyl)amino]methyl]-1,3-oxazole-4-carboxamide
CID 3654857
N-[(2S)-butan-2-yl]-2-[[(2,4-dimethylphenyl)methyl-[(1S)-1-phenylethyl]amino]methyl]-1,3-oxazole-4-carboxamide
CID 93157192
2-[[benzyl-[(2,4-dichlorophenyl)methyl]amino]methyl]-N-butan-2-yl-1,3-oxazole-4-carboxamide
CID 46001264
N-[(2S)-butan-2-yl]-2-[[(2,5-dimethylphenyl)methyl-[(2S)-3-methylbutan-2-yl]amino]methyl]-1,3-oxazole-4-carboxamide
CID 93155463
N-[(2R)-butan-2-yl]-2-[[(2,4-dimethylphenyl)methyl-[(2R)-3-methylbutan-2-yl]amino]methyl]-1,3-oxazole-4-carboxamide
CID 98754384
N-butan-2-yl-2-[[butan-2-yl(3-cyclopentylpropanoyl)amino]methyl]-1,3-oxazole-4-carboxamide
CID 4665787
N-[(2R)-butan-2-yl]-2-[[(2-methoxyphenyl)methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-oxazole-4-carboxamide
CID 93156285
N-[(2R)-butan-2-yl]-2-[[(2,4-difluorophenyl)methyl-[(4-fluorophenyl)methyl]amino]methyl]-1,3-oxazole-4-carboxamide
CID 93156801

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[[cyclopropylmethyl-[(2-methylphenyl)methyl]amino]methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-butan-2-yl-2-[[cyclopropylmethyl-[(2-methylphenyl)methyl]amino]methyl]-1,3-oxazole-4-carboxamide (CID 42834723) is N-butan-2-yl-2-[[cyclopropylmethyl-[(2-methylphenyl)methyl]amino]methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-butan-2-yl-2-[[cyclopropylmethyl-[(2-methylphenyl)methyl]amino]methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-butan-2-yl-2-[[cyclopropylmethyl-[(2-methylphenyl)methyl]amino]methyl]-1,3-oxazole-4-carboxamide is CCC(C)NC(=O)c1coc(CN(Cc2ccccc2C)CC2CC2)n1.
What is the InChIKey of N-butan-2-yl-2-[[cyclopropylmethyl-[(2-methylphenyl)methyl]amino]methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is KKLLFSXFLYTPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-4-16(3)22-21(25)19-14-26-20(23-19)13-24(11-17-9-10-17)12-18-8-6-5-7-15(18)2/h5-8,14,16-17H,4,9-13H2,1-3H3,(H,22,25).
What are the key properties of N-butan-2-yl-2-[[cyclopropylmethyl-[(2-methylphenyl)methyl]amino]methyl]-1,3-oxazole-4-carboxamide?
N-butan-2-yl-2-[[cyclopropylmethyl-[(2-methylphenyl)methyl]amino]methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 355.48 g/mol, XLogP of 3.92, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[[cyclopropylmethyl-[(2-methylphenyl)methyl]amino]methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 42834723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).