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

C20H29N3O2 — CID 42834911

IUPACN-butan-2-yl-2-[[(4-methylphenyl)methyl-propan-2-ylamino]methyl]-1,3-oxazole-4-carboxamide
SMILESCCC(C)NC(=O)c1coc(CN(Cc2ccc(C)cc2)C(C)C)n1
InChIInChI=1S/C20H29N3O2/c1-6-16(5)21-20(24)18-13-25-19(22-18)12-23(14(2)3)11-17-9-7-15(4)8-10-17/h7-10,13-14,16H,6,11-12H2,1-5H3,(H,21,24)
InChIKeyFTVVSONKBJAAIU-UHFFFAOYSA-N
MW343.47 g/mol
LogP3.92
Rot. Bonds8

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

N-butan-2-yl-2-[[(4-methylphenyl)methyl-propan-2-ylamino]methyl]-1,3-oxazole-4-carboxamide (PubChem CID 42834911) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is N-butan-2-yl-2-[[(4-methylphenyl)methyl-propan-2-ylamino]methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[[(4-methylphenyl)methyl-propan-2-ylamino]methyl]-1,3-oxazole-4-carboxamide
PubChem CID42834911
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC NameN-butan-2-yl-2-[[(4-methylphenyl)methyl-propan-2-ylamino]methyl]-1,3-oxazole-4-carboxamide
SMILESCCC(C)NC(=O)c1coc(CN(Cc2ccc(C)cc2)C(C)C)n1
InChIInChI=1S/C20H29N3O2/c1-6-16(5)21-20(24)18-13-25-19(22-18)12-23(14(2)3)11-17-9-7-15(4)8-10-17/h7-10,13-14,16H,6,11-12H2,1-5H3,(H,21,24)
InChIKeyFTVVSONKBJAAIU-UHFFFAOYSA-N
XLogP3.92
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-butan-2-yl]-2-[[(4-ethoxyphenyl)methyl-[(2R)-3-methylbutan-2-yl]amino]methyl]-1,3-oxazole-4-carboxamide
CID 129423450
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
2-[[benzyl-[(2,5-dimethylphenyl)methyl]amino]methyl]-N-[(2S)-butan-2-yl]-1,3-oxazole-4-carboxamide
CID 93157238
2-[[benzyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-N-butan-2-yl-1,3-oxazole-4-carboxamide
CID 46001283
N-[(2R)-butan-2-yl]-2-[[(4-fluorophenyl)methyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-1,3-oxazole-4-carboxamide
CID 93156787
N-[(2S)-butan-2-yl]-2-[[(2,4-dimethylphenyl)methyl-[(1S)-1-phenylethyl]amino]methyl]-1,3-oxazole-4-carboxamide
CID 93157192
N-[(2S)-butan-2-yl]-2-[[(4-fluorophenyl)methyl-[(4-methoxyphenyl)methyl]amino]methyl]-1,3-oxazole-4-carboxamide
CID 93097615
N-[(2S)-butan-2-yl]-2-[[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-oxazole-4-carboxamide
CID 93158009
N-[(2R)-butan-2-yl]-2-[[[(2R)-butan-2-yl]-[(2,5-dimethoxyphenyl)methyl]amino]methyl]-1,3-oxazole-4-carboxamide
CID 98627933
N-[(2R)-butan-2-yl]-2-[[(3-fluorophenyl)methyl-[(1R)-1-phenylethyl]amino]methyl]-1,3-oxazole-4-carboxamide
CID 98627870
N-[(2S)-butan-2-yl]-2-[[(3-fluorophenyl)methyl-[(1S)-1-phenylethyl]amino]methyl]-1,3-oxazole-4-carboxamide
CID 93157138

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[[(4-methylphenyl)methyl-propan-2-ylamino]methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-butan-2-yl-2-[[(4-methylphenyl)methyl-propan-2-ylamino]methyl]-1,3-oxazole-4-carboxamide (CID 42834911) is N-butan-2-yl-2-[[(4-methylphenyl)methyl-propan-2-ylamino]methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-butan-2-yl-2-[[(4-methylphenyl)methyl-propan-2-ylamino]methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-butan-2-yl-2-[[(4-methylphenyl)methyl-propan-2-ylamino]methyl]-1,3-oxazole-4-carboxamide is CCC(C)NC(=O)c1coc(CN(Cc2ccc(C)cc2)C(C)C)n1.
What is the InChIKey of N-butan-2-yl-2-[[(4-methylphenyl)methyl-propan-2-ylamino]methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is FTVVSONKBJAAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-6-16(5)21-20(24)18-13-25-19(22-18)12-23(14(2)3)11-17-9-7-15(4)8-10-17/h7-10,13-14,16H,6,11-12H2,1-5H3,(H,21,24).
What are the key properties of N-butan-2-yl-2-[[(4-methylphenyl)methyl-propan-2-ylamino]methyl]-1,3-oxazole-4-carboxamide?
N-butan-2-yl-2-[[(4-methylphenyl)methyl-propan-2-ylamino]methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 343.47 g/mol, XLogP of 3.92, 8 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-[[(4-methylphenyl)methyl-propan-2-ylamino]methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 42834911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).