N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-3-phenyl-2,1-benzoxazole-5-carboxamide

C26H25N3O5S — CID 24541807

IUPACN-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-3-phenyl-2,1-benzoxazole-5-carboxamide
SMILESO=C(NCc1ccccc1CS(=O)(=O)N1CCOCC1)c1ccc2noc(-c3ccccc3)c2c1
InChIInChI=1S/C26H25N3O5S/c30-26(20-10-11-24-23(16-20)25(34-28-24)19-6-2-1-3-7-19)27-17-21-8-4-5-9-22(21)18-35(31,32)29-12-14-33-15-13-29/h1-11,16H,12-15,17-18H2,(H,27,30)
InChIKeyCGNSCPJMFHYVQZ-UHFFFAOYSA-N
MW491.57 g/mol
LogP3.59
Rot. Bonds7

About N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-3-phenyl-2,1-benzoxazole-5-carboxamide

N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-3-phenyl-2,1-benzoxazole-5-carboxamide (PubChem CID 24541807) has the molecular formula C26H25N3O5S and a molecular weight of 491.57 g/mol. Its IUPAC name is N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-3-phenyl-2,1-benzoxazole-5-carboxamide.

Molecular Properties

Compound NameN-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-3-phenyl-2,1-benzoxazole-5-carboxamide
PubChem CID24541807
Molecular FormulaC26H25N3O5S
Molecular Weight491.57 g/mol
Exact Mass491.15
IUPAC NameN-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-3-phenyl-2,1-benzoxazole-5-carboxamide
SMILESO=C(NCc1ccccc1CS(=O)(=O)N1CCOCC1)c1ccc2noc(-c3ccccc3)c2c1
InChIInChI=1S/C26H25N3O5S/c30-26(20-10-11-24-23(16-20)25(34-28-24)19-6-2-1-3-7-19)27-17-21-8-4-5-9-22(21)18-35(31,32)29-12-14-33-15-13-29/h1-11,16H,12-15,17-18H2,(H,27,30)
InChIKeyCGNSCPJMFHYVQZ-UHFFFAOYSA-N
XLogP3.59
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.57
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 24584059
3-methyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]benzamide
CID 17409313
N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 24541809
N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 24541794
N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-4-pyrrol-1-ylbenzamide
CID 24541820
3,5-dimethyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-1,2-oxazole-4-carboxamide
CID 25404526
N-(2-methylsulfonylethyl)-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 60545395
N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 24541806
2-methyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]benzamide
CID 24541772
2,6-dichloro-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]benzamide
CID 112803399
3-phenyl-N-prop-2-ynyl-2,1-benzoxazole-5-carboxamide
CID 18110112
N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 39969584

Frequently Asked Questions

What is the IUPAC name of N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-3-phenyl-2,1-benzoxazole-5-carboxamide?
The IUPAC name of N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-3-phenyl-2,1-benzoxazole-5-carboxamide (CID 24541807) is N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-3-phenyl-2,1-benzoxazole-5-carboxamide.
What is the SMILES notation for N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-3-phenyl-2,1-benzoxazole-5-carboxamide?
The canonical SMILES for N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-3-phenyl-2,1-benzoxazole-5-carboxamide is O=C(NCc1ccccc1CS(=O)(=O)N1CCOCC1)c1ccc2noc(-c3ccccc3)c2c1.
What is the InChIKey of N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-3-phenyl-2,1-benzoxazole-5-carboxamide?
The InChIKey is CGNSCPJMFHYVQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O5S/c30-26(20-10-11-24-23(16-20)25(34-28-24)19-6-2-1-3-7-19)27-17-21-8-4-5-9-22(21)18-35(31,32)29-12-14-33-15-13-29/h1-11,16H,12-15,17-18H2,(H,27,30).
What are the key properties of N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-3-phenyl-2,1-benzoxazole-5-carboxamide?
N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-3-phenyl-2,1-benzoxazole-5-carboxamide has a molecular weight of 491.57 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-3-phenyl-2,1-benzoxazole-5-carboxamide is sourced from PubChem (CID 24541807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).