N-[[(1R)-3,4-dihydro-1H-isochromen-1-yl]methyl]-5-[(3,4-dimethylphenoxy)methyl]-1,2-oxazole-3-carboxamide

C23H24N2O4 — CID 26392951

IUPACN-[[(1R)-3,4-dihydro-1H-isochromen-1-yl]methyl]-5-[(3,4-dimethylphenoxy)methyl]-1,2-oxazole-3-carboxamide
SMILESCc1ccc(OCc2cc(C(=O)NC[C@@H]3OCCc4ccccc43)no2)cc1C
InChIInChI=1S/C23H24N2O4/c1-15-7-8-18(11-16(15)2)28-14-19-12-21(25-29-19)23(26)24-13-22-20-6-4-3-5-17(20)9-10-27-22/h3-8,11-12,22H,9-10,13-14H2,1-2H3,(H,24,26)/t22-/m0/s1
InChIKeyOPGAKPJNFIECIN-QFIPXVFZSA-N
MW392.46 g/mol
LogP3.91
Rot. Bonds6

About N-[[(1R)-3,4-dihydro-1H-isochromen-1-yl]methyl]-5-[(3,4-dimethylphenoxy)methyl]-1,2-oxazole-3-carboxamide

N-[[(1R)-3,4-dihydro-1H-isochromen-1-yl]methyl]-5-[(3,4-dimethylphenoxy)methyl]-1,2-oxazole-3-carboxamide (PubChem CID 26392951) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-[[(1R)-3,4-dihydro-1H-isochromen-1-yl]methyl]-5-[(3,4-dimethylphenoxy)methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[[(1R)-3,4-dihydro-1H-isochromen-1-yl]methyl]-5-[(3,4-dimethylphenoxy)methyl]-1,2-oxazole-3-carboxamide
PubChem CID26392951
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC NameN-[[(1R)-3,4-dihydro-1H-isochromen-1-yl]methyl]-5-[(3,4-dimethylphenoxy)methyl]-1,2-oxazole-3-carboxamide
SMILESCc1ccc(OCc2cc(C(=O)NC[C@@H]3OCCc4ccccc43)no2)cc1C
InChIInChI=1S/C23H24N2O4/c1-15-7-8-18(11-16(15)2)28-14-19-12-21(25-29-19)23(26)24-13-22-20-6-4-3-5-17(20)9-10-27-22/h3-8,11-12,22H,9-10,13-14H2,1-2H3,(H,24,26)/t22-/m0/s1
InChIKeyOPGAKPJNFIECIN-QFIPXVFZSA-N
XLogP3.91
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 ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 50958581
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CID 56709677
N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 23606990
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CID 97155095
2-chloro-N-(3,4-dihydro-1H-isochromen-1-ylmethyl)benzamide
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5-[(3,4-dimethylphenoxy)methyl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide
CID 25368405
5-[(4-acetamidophenoxy)methyl]-N-(oxolan-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 53110228
[5-[(3,4-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]-[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]methanone
CID 42415742
2-bromo-N-(3,4-dihydro-1H-isochromen-1-ylmethyl)benzamide
CID 3132819
N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-N'-(4-methoxyphenyl)oxamide
CID 40918392
1-[5-[(3,4-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]-3-(oxan-4-yl)propan-1-one
CID 159756974
N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 97110219

Frequently Asked Questions

What is the IUPAC name of N-[[(1R)-3,4-dihydro-1H-isochromen-1-yl]methyl]-5-[(3,4-dimethylphenoxy)methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[[(1R)-3,4-dihydro-1H-isochromen-1-yl]methyl]-5-[(3,4-dimethylphenoxy)methyl]-1,2-oxazole-3-carboxamide (CID 26392951) is N-[[(1R)-3,4-dihydro-1H-isochromen-1-yl]methyl]-5-[(3,4-dimethylphenoxy)methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[[(1R)-3,4-dihydro-1H-isochromen-1-yl]methyl]-5-[(3,4-dimethylphenoxy)methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[[(1R)-3,4-dihydro-1H-isochromen-1-yl]methyl]-5-[(3,4-dimethylphenoxy)methyl]-1,2-oxazole-3-carboxamide is Cc1ccc(OCc2cc(C(=O)NC[C@@H]3OCCc4ccccc43)no2)cc1C.
What is the InChIKey of N-[[(1R)-3,4-dihydro-1H-isochromen-1-yl]methyl]-5-[(3,4-dimethylphenoxy)methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is OPGAKPJNFIECIN-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-15-7-8-18(11-16(15)2)28-14-19-12-21(25-29-19)23(26)24-13-22-20-6-4-3-5-17(20)9-10-27-22/h3-8,11-12,22H,9-10,13-14H2,1-2H3,(H,24,26)/t22-/m0/s1.
What are the key properties of N-[[(1R)-3,4-dihydro-1H-isochromen-1-yl]methyl]-5-[(3,4-dimethylphenoxy)methyl]-1,2-oxazole-3-carboxamide?
N-[[(1R)-3,4-dihydro-1H-isochromen-1-yl]methyl]-5-[(3,4-dimethylphenoxy)methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R)-3,4-dihydro-1H-isochromen-1-yl]methyl]-5-[(3,4-dimethylphenoxy)methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 26392951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).