N-[2-methoxy-5-(oxolan-2-ylmethylsulfonyl)phenyl]-5-(4-methylphenyl)-1,3-oxazol-2-amine

C22H24N2O5S — CID 142884270

IUPACN-[2-methoxy-5-(oxolan-2-ylmethylsulfonyl)phenyl]-5-(4-methylphenyl)-1,3-oxazol-2-amine
SMILESCOc1ccc(S(=O)(=O)CC2CCCO2)cc1Nc1ncc(-c2ccc(C)cc2)o1
InChIInChI=1S/C22H24N2O5S/c1-15-5-7-16(8-6-15)21-13-23-22(29-21)24-19-12-18(9-10-20(19)27-2)30(25,26)14-17-4-3-11-28-17/h5-10,12-13,17H,3-4,11,14H2,1-2H3,(H,23,24)
InChIKeyXSTQIFUTWLOALW-UHFFFAOYSA-N
MW428.51 g/mol
LogP4.35
Rot. Bonds7

About N-[2-methoxy-5-(oxolan-2-ylmethylsulfonyl)phenyl]-5-(4-methylphenyl)-1,3-oxazol-2-amine

N-[2-methoxy-5-(oxolan-2-ylmethylsulfonyl)phenyl]-5-(4-methylphenyl)-1,3-oxazol-2-amine (PubChem CID 142884270) has the molecular formula C22H24N2O5S and a molecular weight of 428.51 g/mol. Its IUPAC name is N-[2-methoxy-5-(oxolan-2-ylmethylsulfonyl)phenyl]-5-(4-methylphenyl)-1,3-oxazol-2-amine.

Molecular Properties

Compound NameN-[2-methoxy-5-(oxolan-2-ylmethylsulfonyl)phenyl]-5-(4-methylphenyl)-1,3-oxazol-2-amine
PubChem CID142884270
Molecular FormulaC22H24N2O5S
Molecular Weight428.51 g/mol
Exact Mass428.14
IUPAC NameN-[2-methoxy-5-(oxolan-2-ylmethylsulfonyl)phenyl]-5-(4-methylphenyl)-1,3-oxazol-2-amine
SMILESCOc1ccc(S(=O)(=O)CC2CCCO2)cc1Nc1ncc(-c2ccc(C)cc2)o1
InChIInChI=1S/C22H24N2O5S/c1-15-5-7-16(8-6-15)21-13-23-22(29-21)24-19-12-18(9-10-20(19)27-2)30(25,26)14-17-4-3-11-28-17/h5-10,12-13,17H,3-4,11,14H2,1-2H3,(H,23,24)
InChIKeyXSTQIFUTWLOALW-UHFFFAOYSA-N
XLogP4.35
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.51
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-(Ethylsulfonyl)-2-methoxyphenyl)-5-(3-(2-pyridinyl)phenyl)-1,3-oxazol-2-amine
CID 4369497
N-(Cyclopropylmethyl)-4-(methyloxy)-3-((5-(3-(3-pyridinyl)phenyl)-1,3-oxazol-2-YL)amino)benzenesulfonamide
CID 4369498
2-Anilino-5-aryloxazole 20
CID 5329855
2-Anilino-5-aryloxazole 21
CID 5329856
2-Anilino-5-aryloxazole 25
CID 5329858
2-Anilino-5-aryloxazole 26
CID 5329859
2-Anilino-5-aryloxazole 27
CID 5329860
N-[5-(ethanesulfonyl)-2-methoxyphenyl]-5-(3-fluorophenyl)-1,3-oxazol-2-amine
CID 5329861
2-Anilino-5-aryloxazole 30
CID 5329863
2-Anilino-5-aryloxazole 31
CID 5329864
2-Anilino-5-aryloxazole 32
CID 5329865
Benzamide,4-[2-[[5-(ethylsulfonyl)-2-methoxyphenyl]amino]-5-oxazolyl]-
CID 5329866

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-(oxolan-2-ylmethylsulfonyl)phenyl]-5-(4-methylphenyl)-1,3-oxazol-2-amine?
The IUPAC name of N-[2-methoxy-5-(oxolan-2-ylmethylsulfonyl)phenyl]-5-(4-methylphenyl)-1,3-oxazol-2-amine (CID 142884270) is N-[2-methoxy-5-(oxolan-2-ylmethylsulfonyl)phenyl]-5-(4-methylphenyl)-1,3-oxazol-2-amine.
What is the SMILES notation for N-[2-methoxy-5-(oxolan-2-ylmethylsulfonyl)phenyl]-5-(4-methylphenyl)-1,3-oxazol-2-amine?
The canonical SMILES for N-[2-methoxy-5-(oxolan-2-ylmethylsulfonyl)phenyl]-5-(4-methylphenyl)-1,3-oxazol-2-amine is COc1ccc(S(=O)(=O)CC2CCCO2)cc1Nc1ncc(-c2ccc(C)cc2)o1.
What is the InChIKey of N-[2-methoxy-5-(oxolan-2-ylmethylsulfonyl)phenyl]-5-(4-methylphenyl)-1,3-oxazol-2-amine?
The InChIKey is XSTQIFUTWLOALW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O5S/c1-15-5-7-16(8-6-15)21-13-23-22(29-21)24-19-12-18(9-10-20(19)27-2)30(25,26)14-17-4-3-11-28-17/h5-10,12-13,17H,3-4,11,14H2,1-2H3,(H,23,24).
What are the key properties of N-[2-methoxy-5-(oxolan-2-ylmethylsulfonyl)phenyl]-5-(4-methylphenyl)-1,3-oxazol-2-amine?
N-[2-methoxy-5-(oxolan-2-ylmethylsulfonyl)phenyl]-5-(4-methylphenyl)-1,3-oxazol-2-amine has a molecular weight of 428.51 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-(oxolan-2-ylmethylsulfonyl)phenyl]-5-(4-methylphenyl)-1,3-oxazol-2-amine is sourced from PubChem (CID 142884270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).