N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

C24H27N3O4S — CID 5030956

IUPACN-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2c(-c3ccccc3)noc2C)cc1S(=O)(=O)N1CCCCCC1
InChIInChI=1S/C24H27N3O4S/c1-17-12-13-20(16-21(17)32(29,30)27-14-8-3-4-9-15-27)25-24(28)22-18(2)31-26-23(22)19-10-6-5-7-11-19/h5-7,10-13,16H,3-4,8-9,14-15H2,1-2H3,(H,25,28)
InChIKeyOOZYHJMORMULDN-UHFFFAOYSA-N
MW453.56 g/mol
LogP4.78
Rot. Bonds5

About N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 5030956) has the molecular formula C24H27N3O4S and a molecular weight of 453.56 g/mol. Its IUPAC name is N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID5030956
Molecular FormulaC24H27N3O4S
Molecular Weight453.56 g/mol
Exact Mass453.17
IUPAC NameN-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2c(-c3ccccc3)noc2C)cc1S(=O)(=O)N1CCCCCC1
InChIInChI=1S/C24H27N3O4S/c1-17-12-13-20(16-21(17)32(29,30)27-14-8-3-4-9-15-27)25-24(28)22-18(2)31-26-23(22)19-10-6-5-7-11-19/h5-7,10-13,16H,3-4,8-9,14-15H2,1-2H3,(H,25,28)
InChIKeyOOZYHJMORMULDN-UHFFFAOYSA-N
XLogP4.78
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.56
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-iodo-4-methylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 2649068
3,5-dimethyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 24635475
3-ethyl-5-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide
CID 9183600
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-3,5-difluorobenzamide
CID 3602667
2-amino-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 119943663
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]furan-2-carboxamide
CID 3592992
5-methyl-3-phenyl-N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-1,2-oxazole-4-carboxamide
CID 9323648
N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 25443984
5-methyl-N-(3-methyl-4-propan-2-ylphenyl)-3-phenyl-1,2-oxazole-4-carboxamide
CID 155518641
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-3-nitrobenzamide
CID 17432348
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(methylamino)acetamide
CID 119675127
4-(dimethylamino)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 25443715

Frequently Asked Questions

What is the IUPAC name of N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (CID 5030956) is N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is Cc1ccc(NC(=O)c2c(-c3ccccc3)noc2C)cc1S(=O)(=O)N1CCCCCC1.
What is the InChIKey of N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is OOZYHJMORMULDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4S/c1-17-12-13-20(16-21(17)32(29,30)27-14-8-3-4-9-15-27)25-24(28)22-18(2)31-26-23(22)19-10-6-5-7-11-19/h5-7,10-13,16H,3-4,8-9,14-15H2,1-2H3,(H,25,28).
What are the key properties of N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 453.56 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 5030956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).