4-chloro-N-cyclopropyl-N-[(3-phenyl-5-thiomorpholin-4-yl-1,2-oxazol-4-yl)methyl]benzamide

C24H24ClN3O2S — CID 46023763

IUPAC4-chloro-N-cyclopropyl-N-[(3-phenyl-5-thiomorpholin-4-yl-1,2-oxazol-4-yl)methyl]benzamide
SMILESO=C(c1ccc(Cl)cc1)N(Cc1c(-c2ccccc2)noc1N1CCSCC1)C1CC1
InChIInChI=1S/C24H24ClN3O2S/c25-19-8-6-18(7-9-19)23(29)28(20-10-11-20)16-21-22(17-4-2-1-3-5-17)26-30-24(21)27-12-14-31-15-13-27/h1-9,20H,10-16H2
InChIKeyWDNASTQSEHCUOG-UHFFFAOYSA-N
MW454.00 g/mol
LogP5.35
Rot. Bonds6

About 4-chloro-N-cyclopropyl-N-[(3-phenyl-5-thiomorpholin-4-yl-1,2-oxazol-4-yl)methyl]benzamide

4-chloro-N-cyclopropyl-N-[(3-phenyl-5-thiomorpholin-4-yl-1,2-oxazol-4-yl)methyl]benzamide (PubChem CID 46023763) has the molecular formula C24H24ClN3O2S and a molecular weight of 454.00 g/mol. Its IUPAC name is 4-chloro-N-cyclopropyl-N-[(3-phenyl-5-thiomorpholin-4-yl-1,2-oxazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-cyclopropyl-N-[(3-phenyl-5-thiomorpholin-4-yl-1,2-oxazol-4-yl)methyl]benzamide
PubChem CID46023763
Molecular FormulaC24H24ClN3O2S
Molecular Weight454.00 g/mol
Exact Mass453.13
IUPAC Name4-chloro-N-cyclopropyl-N-[(3-phenyl-5-thiomorpholin-4-yl-1,2-oxazol-4-yl)methyl]benzamide
SMILESO=C(c1ccc(Cl)cc1)N(Cc1c(-c2ccccc2)noc1N1CCSCC1)C1CC1
InChIInChI=1S/C24H24ClN3O2S/c25-19-8-6-18(7-9-19)23(29)28(20-10-11-20)16-21-22(17-4-2-1-3-5-17)26-30-24(21)27-12-14-31-15-13-27/h1-9,20H,10-16H2
InChIKeyWDNASTQSEHCUOG-UHFFFAOYSA-N
XLogP5.35
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.00
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-2-fluoro-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide
CID 24719772
4-methyl-N-[(3-phenyl-5-thiomorpholin-4-yl-1,2-oxazol-4-yl)methyl]-N-propylbenzamide
CID 46152821
4-chloro-N-(oxolan-2-ylmethyl)-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide
CID 46023678
N-[(3-phenyl-5-thiomorpholin-4-yl-1,2-oxazol-4-yl)methyl]cyclopropanamine
CID 24714267
N-butan-2-yl-2-methyl-N-[(3-phenyl-5-thiomorpholin-4-yl-1,2-oxazol-4-yl)methyl]benzamide
CID 46023748
N-cyclopropyl-4-methoxy-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]benzamide
CID 46028544
1-cyclopropyl-3-(4-methylphenyl)-1-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]urea
CID 46023784
4-chloro-N-(3-methoxypropyl)-N-[[5-(2-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]benzamide
CID 42843741
N-[(2S)-butan-2-yl]-3-fluoro-N-[(3-phenyl-5-thiomorpholin-4-yl-1,2-oxazol-4-yl)methyl]benzamide
CID 93207888
3-bromo-N-cyclopropyl-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]benzamide
CID 42844060
4-fluoro-N-[[(2S)-oxolan-2-yl]methyl]-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide
CID 93207843
N-benzyl-N-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]cyclopentanecarboxamide
CID 46015005

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-cyclopropyl-N-[(3-phenyl-5-thiomorpholin-4-yl-1,2-oxazol-4-yl)methyl]benzamide?
The IUPAC name of 4-chloro-N-cyclopropyl-N-[(3-phenyl-5-thiomorpholin-4-yl-1,2-oxazol-4-yl)methyl]benzamide (CID 46023763) is 4-chloro-N-cyclopropyl-N-[(3-phenyl-5-thiomorpholin-4-yl-1,2-oxazol-4-yl)methyl]benzamide.
What is the SMILES notation for 4-chloro-N-cyclopropyl-N-[(3-phenyl-5-thiomorpholin-4-yl-1,2-oxazol-4-yl)methyl]benzamide?
The canonical SMILES for 4-chloro-N-cyclopropyl-N-[(3-phenyl-5-thiomorpholin-4-yl-1,2-oxazol-4-yl)methyl]benzamide is O=C(c1ccc(Cl)cc1)N(Cc1c(-c2ccccc2)noc1N1CCSCC1)C1CC1.
What is the InChIKey of 4-chloro-N-cyclopropyl-N-[(3-phenyl-5-thiomorpholin-4-yl-1,2-oxazol-4-yl)methyl]benzamide?
The InChIKey is WDNASTQSEHCUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN3O2S/c25-19-8-6-18(7-9-19)23(29)28(20-10-11-20)16-21-22(17-4-2-1-3-5-17)26-30-24(21)27-12-14-31-15-13-27/h1-9,20H,10-16H2.
What are the key properties of 4-chloro-N-cyclopropyl-N-[(3-phenyl-5-thiomorpholin-4-yl-1,2-oxazol-4-yl)methyl]benzamide?
4-chloro-N-cyclopropyl-N-[(3-phenyl-5-thiomorpholin-4-yl-1,2-oxazol-4-yl)methyl]benzamide has a molecular weight of 454.00 g/mol, XLogP of 5.35, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-cyclopropyl-N-[(3-phenyl-5-thiomorpholin-4-yl-1,2-oxazol-4-yl)methyl]benzamide is sourced from PubChem (CID 46023763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).