N-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide

C27H33N3O3 — CID 93206888

IUPACN-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
SMILESCCN(CC)c1onc(-c2ccccc2)c1CN(C[C@@H]1CCCO1)C(=O)c1cccc(C)c1
InChIInChI=1S/C27H33N3O3/c1-4-29(5-2)27-24(25(28-33-27)21-12-7-6-8-13-21)19-30(18-23-15-10-16-32-23)26(31)22-14-9-11-20(3)17-22/h6-9,11-14,17,23H,4-5,10,15-16,18-19H2,1-3H3/t23-/m0/s1
InChIKeyYLJOWBSEOGQHAD-QHCPKHFHSA-N
MW447.58 g/mol
LogP5.32
Rot. Bonds9

About N-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide

N-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide (PubChem CID 93206888) has the molecular formula C27H33N3O3 and a molecular weight of 447.58 g/mol. Its IUPAC name is N-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
PubChem CID93206888
Molecular FormulaC27H33N3O3
Molecular Weight447.58 g/mol
Exact Mass447.25
IUPAC NameN-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
SMILESCCN(CC)c1onc(-c2ccccc2)c1CN(C[C@@H]1CCCO1)C(=O)c1cccc(C)c1
InChIInChI=1S/C27H33N3O3/c1-4-29(5-2)27-24(25(28-33-27)21-12-7-6-8-13-21)19-30(18-23-15-10-16-32-23)26(31)22-14-9-11-20(3)17-22/h6-9,11-14,17,23H,4-5,10,15-16,18-19H2,1-3H3/t23-/m0/s1
InChIKeyYLJOWBSEOGQHAD-QHCPKHFHSA-N
XLogP5.32
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.58
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-4-fluoro-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 93206867
N-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-2-methoxy-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 93206878
3-bromo-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 46028620
3-bromo-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 98169525
4-methyl-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 46028612
3-methoxy-N-[[5-(4-methoxyphenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 93136451
4-fluoro-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 93223098
3-fluoro-N-[[5-(4-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 51069229
2-fluoro-N-[[1-methyl-5-(3-methylphenoxy)-3-phenylpyrazol-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 93136470
3-methyl-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]-N-propylbenzamide
CID 24718133
2-methyl-N-[[1-methyl-5-(3-methylphenoxy)-3-phenylpyrazol-4-yl]methyl]-N-(oxolan-2-ylmethyl)propanamide
CID 51069817
3-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 1077957

Frequently Asked Questions

What is the IUPAC name of N-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The IUPAC name of N-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide (CID 93206888) is N-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide.
What is the SMILES notation for N-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The canonical SMILES for N-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide is CCN(CC)c1onc(-c2ccccc2)c1CN(C[C@@H]1CCCO1)C(=O)c1cccc(C)c1.
What is the InChIKey of N-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The InChIKey is YLJOWBSEOGQHAD-QHCPKHFHSA-N. The full InChI is InChI=1S/C27H33N3O3/c1-4-29(5-2)27-24(25(28-33-27)21-12-7-6-8-13-21)19-30(18-23-15-10-16-32-23)26(31)22-14-9-11-20(3)17-22/h6-9,11-14,17,23H,4-5,10,15-16,18-19H2,1-3H3/t23-/m0/s1.
What are the key properties of N-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
N-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide has a molecular weight of 447.58 g/mol, XLogP of 5.32, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide is sourced from PubChem (CID 93206888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).