3-fluoro-N-[[5-(2-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide

C29H35FN4O3 — CID 46027882

IUPAC3-fluoro-N-[[5-(2-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide
SMILESCC1CCCCN1c1onc(-c2ccccc2)c1CN(CCN1CCOCC1)C(=O)c1cccc(F)c1
InChIInChI=1S/C29H35FN4O3/c1-22-8-5-6-13-34(22)29-26(27(31-37-29)23-9-3-2-4-10-23)21-33(15-14-32-16-18-36-19-17-32)28(35)24-11-7-12-25(30)20-24/h2-4,7,9-12,20,22H,5-6,8,13-19,21H2,1H3
InChIKeyHEHNGLSLIRFRNT-UHFFFAOYSA-N
MW506.62 g/mol
LogP4.83
Rot. Bonds8

About 3-fluoro-N-[[5-(2-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide

3-fluoro-N-[[5-(2-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 46027882) has the molecular formula C29H35FN4O3 and a molecular weight of 506.62 g/mol. Its IUPAC name is 3-fluoro-N-[[5-(2-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound Name3-fluoro-N-[[5-(2-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide
PubChem CID46027882
Molecular FormulaC29H35FN4O3
Molecular Weight506.62 g/mol
Exact Mass506.27
IUPAC Name3-fluoro-N-[[5-(2-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide
SMILESCC1CCCCN1c1onc(-c2ccccc2)c1CN(CCN1CCOCC1)C(=O)c1cccc(F)c1
InChIInChI=1S/C29H35FN4O3/c1-22-8-5-6-13-34(22)29-26(27(31-37-29)23-9-3-2-4-10-23)21-33(15-14-32-16-18-36-19-17-32)28(35)24-11-7-12-25(30)20-24/h2-4,7,9-12,20,22H,5-6,8,13-19,21H2,1H3
InChIKeyHEHNGLSLIRFRNT-UHFFFAOYSA-N
XLogP4.83
TPSA62.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.62
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-methoxy-N-[[5-[(2R)-2-methylpiperidin-1-yl]-3-phenyl-1,2-oxazol-4-yl]methyl]-N-(2-morpholin-4-ylethyl)acetamide
CID 93222343
N-[2-(dimethylamino)ethyl]-N-[[5-[(2S)-2-methylpiperidin-1-yl]-3-phenyl-1,2-oxazol-4-yl]methyl]benzamide
CID 93222414
4-fluoro-N-(2-morpholin-4-ylethyl)-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide
CID 46027755
N-(2-methoxyethyl)-N-[[5-[(2R)-2-methylpiperidin-1-yl]-3-phenyl-1,2-oxazol-4-yl]methyl]benzamide
CID 93222363
4-chloro-N-(3-methoxypropyl)-N-[[5-(2-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]benzamide
CID 42843741
N-(2-methoxyethyl)-N-[[5-[(2R)-2-methylpiperidin-1-yl]-3-phenyl-1,2-oxazol-4-yl]methyl]propanamide
CID 93222362
N-(3-methoxypropyl)-N-[[5-[(2R)-2-methylpiperidin-1-yl]-3-phenyl-1,2-oxazol-4-yl]methyl]cyclopentanecarboxamide
CID 93222395
3-fluoro-N-[[5-(4-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]-N-(2-methylpropyl)benzamide
CID 24718182
1-[2-(dimethylamino)ethyl]-1-[[5-(2-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]-3-propan-2-ylurea
CID 46153504
N-[2-(dimethylamino)ethyl]-3-fluoro-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]benzamide
CID 46153638
N-(2-methoxyethyl)-3-methyl-N-[[5-(2-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]butanamide
CID 46027892
3-methyl-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]-N-propylbenzamide
CID 24718133

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[[5-(2-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of 3-fluoro-N-[[5-(2-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide (CID 46027882) is 3-fluoro-N-[[5-(2-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for 3-fluoro-N-[[5-(2-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for 3-fluoro-N-[[5-(2-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide is CC1CCCCN1c1onc(-c2ccccc2)c1CN(CCN1CCOCC1)C(=O)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[[5-(2-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is HEHNGLSLIRFRNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35FN4O3/c1-22-8-5-6-13-34(22)29-26(27(31-37-29)23-9-3-2-4-10-23)21-33(15-14-32-16-18-36-19-17-32)28(35)24-11-7-12-25(30)20-24/h2-4,7,9-12,20,22H,5-6,8,13-19,21H2,1H3.
What are the key properties of 3-fluoro-N-[[5-(2-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide?
3-fluoro-N-[[5-(2-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 506.62 g/mol, XLogP of 4.83, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[[5-(2-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 46027882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).