N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide

C18H22N2O3 — CID 95123892

IUPACN-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
SMILESCC(C)Cc1cc(C(=O)N(C)C[C@@H]2Cc3ccccc3O2)no1
InChIInChI=1S/C18H22N2O3/c1-12(2)8-14-10-16(19-23-14)18(21)20(3)11-15-9-13-6-4-5-7-17(13)22-15/h4-7,10,12,15H,8-9,11H2,1-3H3/t15-/m0/s1
InChIKeyCIMJIOIUVKQHPX-HNNXBMFYSA-N
MW314.39 g/mol
LogP2.95
Rot. Bonds5

About N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide

N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide (PubChem CID 95123892) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
PubChem CID95123892
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC NameN-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
SMILESCC(C)Cc1cc(C(=O)N(C)C[C@@H]2Cc3ccccc3O2)no1
InChIInChI=1S/C18H22N2O3/c1-12(2)8-14-10-16(19-23-14)18(21)20(3)11-15-9-13-6-4-5-7-17(13)22-15/h4-7,10,12,15H,8-9,11H2,1-3H3/t15-/m0/s1
InChIKeyCIMJIOIUVKQHPX-HNNXBMFYSA-N
XLogP2.95
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-methyl-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 50959976
N-methyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-3-yl]methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 45175393
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CID 125161477
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CID 95137985
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N,1,2,5-tetramethylpyrrole-3-carboxamide
CID 135095648
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1-(2,3-dihydro-1-benzofuran-2-yl)-N,N-dimethylmethanamine
CID 2842479
N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 42557349
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N,1-dimethylpyrazolo[4,5-b]pyridine-6-carboxamide
CID 156586654
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-methyl-2-morpholin-4-ylbenzamide
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N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N,1-dimethylimidazo[2,1-e]pyrazole-7-carboxamide
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3-amino-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-4-phenyl-1H-pyrazole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide (CID 95123892) is N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide is CC(C)Cc1cc(C(=O)N(C)C[C@@H]2Cc3ccccc3O2)no1.
What is the InChIKey of N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
The InChIKey is CIMJIOIUVKQHPX-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-12(2)8-14-10-16(19-23-14)18(21)20(3)11-15-9-13-6-4-5-7-17(13)22-15/h4-7,10,12,15H,8-9,11H2,1-3H3/t15-/m0/s1.
What are the key properties of N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 95123892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).