N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

C23H24N2O4 — CID 9399648

IUPACN-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCCOc1cc2c(cc1CNC(=O)c1c(-c3ccccc3)noc1C)O[C@@H](C)C2
InChIInChI=1S/C23H24N2O4/c1-4-27-19-11-17-10-14(2)28-20(17)12-18(19)13-24-23(26)21-15(3)29-25-22(21)16-8-6-5-7-9-16/h5-9,11-12,14H,4,10,13H2,1-3H3,(H,24,26)/t14-/m0/s1
InChIKeyBPPRTALROPPXBZ-AWEZNQCLSA-N
MW392.46 g/mol
LogP4.30
Rot. Bonds6

About N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 9399648) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID9399648
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC NameN-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCCOc1cc2c(cc1CNC(=O)c1c(-c3ccccc3)noc1C)O[C@@H](C)C2
InChIInChI=1S/C23H24N2O4/c1-4-27-19-11-17-10-14(2)28-20(17)12-18(19)13-24-23(26)21-15(3)29-25-22(21)16-8-6-5-7-9-16/h5-9,11-12,14H,4,10,13H2,1-3H3,(H,24,26)/t14-/m0/s1
InChIKeyBPPRTALROPPXBZ-AWEZNQCLSA-N
XLogP4.30
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 9399647
N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 9401010
N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-3-methylbenzamide
CID 7670514
N-[2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]-2-oxoethyl]benzamide
CID 9398128
N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2-methyl-1H-indole-3-carboxamide
CID 31799591
N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1-phenylpyrazole-4-carboxamide
CID 9401671
N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-4-hydroxy-1-phenylpyrazole-3-carboxamide
CID 112798267
N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1H-indazole-3-carboxamide
CID 9268865
N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1H-indazole-3-carboxamide
CID 9268869
5-bromo-N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]pyridine-3-carboxamide
CID 9398342
N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-2H-benzotriazole-5-carboxamide
CID 18126153
ethyl N-[3-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylcarbamoyl]phenyl]carbamate
CID 9401560

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (CID 9399648) is N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is CCOc1cc2c(cc1CNC(=O)c1c(-c3ccccc3)noc1C)O[C@@H](C)C2.
What is the InChIKey of N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is BPPRTALROPPXBZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-4-27-19-11-17-10-14(2)28-20(17)12-18(19)13-24-23(26)21-15(3)29-25-22(21)16-8-6-5-7-9-16/h5-9,11-12,14H,4,10,13H2,1-3H3,(H,24,26)/t14-/m0/s1.
What are the key properties of N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 9399648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).