N-[6-(2,4-dimethylphenyl)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-1,3-oxazole-4-carboxamide

C22H22N2O3 — CID 172670199

IUPACN-[6-(2,4-dimethylphenyl)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-1,3-oxazole-4-carboxamide
SMILESCc1ccc(-c2ccc3c(c2)C(NC(=O)c2coc(C)n2)CCO3)c(C)c1
InChIInChI=1S/C22H22N2O3/c1-13-4-6-17(14(2)10-13)16-5-7-21-18(11-16)19(8-9-26-21)24-22(25)20-12-27-15(3)23-20/h4-7,10-12,19H,8-9H2,1-3H3,(H,24,25)
InChIKeyNFTRXVUHFAMMJE-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.52
Rot. Bonds3

About N-[6-(2,4-dimethylphenyl)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-1,3-oxazole-4-carboxamide

N-[6-(2,4-dimethylphenyl)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-1,3-oxazole-4-carboxamide (PubChem CID 172670199) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-[6-(2,4-dimethylphenyl)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[6-(2,4-dimethylphenyl)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-1,3-oxazole-4-carboxamide
PubChem CID172670199
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC NameN-[6-(2,4-dimethylphenyl)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-1,3-oxazole-4-carboxamide
SMILESCc1ccc(-c2ccc3c(c2)C(NC(=O)c2coc(C)n2)CCO3)c(C)c1
InChIInChI=1S/C22H22N2O3/c1-13-4-6-17(14(2)10-13)16-5-7-21-18(11-16)19(8-9-26-21)24-22(25)20-12-27-15(3)23-20/h4-7,10-12,19H,8-9H2,1-3H3,(H,24,25)
InChIKeyNFTRXVUHFAMMJE-UHFFFAOYSA-N
XLogP4.52
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)propanamide
CID 108734122
N-[6-(4-ethylphenyl)-3,4-dihydro-2H-chromen-4-yl]-5-methyl-1H-pyrazole-3-carboxamide
CID 172672021
2,2,2-trichloro-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)acetamide
CID 108734077
2-(carbamoylamino)-N-[6-(2-fluoro-5-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 172671419
2-benzoyl-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)benzamide
CID 108757445
N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
CID 108734133
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(4-methylphenyl)thiophene-2-carboxamide
CID 9193206
4-hexoxy-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)benzamide
CID 108757448
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-5-methyl-1H-pyrazole-3-carboxamide
CID 94526998
2-bromo-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)butanamide
CID 108734108
7-(2,4-dimethylphenyl)-2,3-dihydrochromen-4-one
CID 169422650
2-methyl-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)-3-nitrobenzamide
CID 108734181

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,4-dimethylphenyl)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[6-(2,4-dimethylphenyl)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-1,3-oxazole-4-carboxamide (CID 172670199) is N-[6-(2,4-dimethylphenyl)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[6-(2,4-dimethylphenyl)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[6-(2,4-dimethylphenyl)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-1,3-oxazole-4-carboxamide is Cc1ccc(-c2ccc3c(c2)C(NC(=O)c2coc(C)n2)CCO3)c(C)c1.
What is the InChIKey of N-[6-(2,4-dimethylphenyl)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-1,3-oxazole-4-carboxamide?
The InChIKey is NFTRXVUHFAMMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-13-4-6-17(14(2)10-13)16-5-7-21-18(11-16)19(8-9-26-21)24-22(25)20-12-27-15(3)23-20/h4-7,10-12,19H,8-9H2,1-3H3,(H,24,25).
What are the key properties of N-[6-(2,4-dimethylphenyl)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-1,3-oxazole-4-carboxamide?
N-[6-(2,4-dimethylphenyl)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-1,3-oxazole-4-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,4-dimethylphenyl)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 172670199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).