3-chloro-4-fluoro-N-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzamide

C19H21ClFN3O3 — CID 53195466

IUPAC3-chloro-4-fluoro-N-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzamide
SMILESCc1oc(CNC(=O)c2ccc(F)c(Cl)c2)nc1C(=O)N1CCC(C)CC1
InChIInChI=1S/C19H21ClFN3O3/c1-11-5-7-24(8-6-11)19(26)17-12(2)27-16(23-17)10-22-18(25)13-3-4-15(21)14(20)9-13/h3-4,9,11H,5-8,10H2,1-2H3,(H,22,25)
InChIKeyNUYDDIQYNHAWJG-UHFFFAOYSA-N
MW393.85 g/mol
LogP3.58
Rot. Bonds4

About 3-chloro-4-fluoro-N-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzamide

3-chloro-4-fluoro-N-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzamide (PubChem CID 53195466) has the molecular formula C19H21ClFN3O3 and a molecular weight of 393.85 g/mol. Its IUPAC name is 3-chloro-4-fluoro-N-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzamide.

Molecular Properties

Compound Name3-chloro-4-fluoro-N-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzamide
PubChem CID53195466
Molecular FormulaC19H21ClFN3O3
Molecular Weight393.85 g/mol
Exact Mass393.13
IUPAC Name3-chloro-4-fluoro-N-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzamide
SMILESCc1oc(CNC(=O)c2ccc(F)c(Cl)c2)nc1C(=O)N1CCC(C)CC1
InChIInChI=1S/C19H21ClFN3O3/c1-11-5-7-24(8-6-11)19(26)17-12(2)27-16(23-17)10-22-18(25)13-3-4-15(21)14(20)9-13/h3-4,9,11H,5-8,10H2,1-2H3,(H,22,25)
InChIKeyNUYDDIQYNHAWJG-UHFFFAOYSA-N
XLogP3.58
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.85
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-fluoro-N-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzamide?
The IUPAC name of 3-chloro-4-fluoro-N-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzamide (CID 53195466) is 3-chloro-4-fluoro-N-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzamide.
What is the SMILES notation for 3-chloro-4-fluoro-N-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzamide?
The canonical SMILES for 3-chloro-4-fluoro-N-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzamide is Cc1oc(CNC(=O)c2ccc(F)c(Cl)c2)nc1C(=O)N1CCC(C)CC1.
What is the InChIKey of 3-chloro-4-fluoro-N-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzamide?
The InChIKey is NUYDDIQYNHAWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFN3O3/c1-11-5-7-24(8-6-11)19(26)17-12(2)27-16(23-17)10-22-18(25)13-3-4-15(21)14(20)9-13/h3-4,9,11H,5-8,10H2,1-2H3,(H,22,25).
What are the key properties of 3-chloro-4-fluoro-N-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzamide?
3-chloro-4-fluoro-N-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzamide has a molecular weight of 393.85 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-fluoro-N-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzamide is sourced from PubChem (CID 53195466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).