N-[(3R,4S)-1-(5-chloro-3-fluoro-2-pyridinyl)-3-ethylpiperidin-4-yl]-2-ethyl-4-methyl-1,3-oxazole-5-carboxamide

C19H24ClFN4O2 — CID 166619947

IUPACN-[(3R,4S)-1-(5-chloro-3-fluoro-2-pyridinyl)-3-ethylpiperidin-4-yl]-2-ethyl-4-methyl-1,3-oxazole-5-carboxamide
SMILESCCc1nc(C)c(C(=O)N[C@H]2CCN(c3ncc(Cl)cc3F)C[C@H]2CC)o1
InChIInChI=1S/C19H24ClFN4O2/c1-4-12-10-25(18-14(21)8-13(20)9-22-18)7-6-15(12)24-19(26)17-11(3)23-16(5-2)27-17/h8-9,12,15H,4-7,10H2,1-3H3,(H,24,26)/t12-,15+/m1/s1
InChIKeyDFXGOVBXNDWZLY-DOMZBBRYSA-N
MW394.88 g/mol
LogP3.77
Rot. Bonds5

About N-[(3R,4S)-1-(5-chloro-3-fluoro-2-pyridinyl)-3-ethylpiperidin-4-yl]-2-ethyl-4-methyl-1,3-oxazole-5-carboxamide

N-[(3R,4S)-1-(5-chloro-3-fluoro-2-pyridinyl)-3-ethylpiperidin-4-yl]-2-ethyl-4-methyl-1,3-oxazole-5-carboxamide (PubChem CID 166619947) has the molecular formula C19H24ClFN4O2 and a molecular weight of 394.88 g/mol. Its IUPAC name is N-[(3R,4S)-1-(5-chloro-3-fluoro-2-pyridinyl)-3-ethylpiperidin-4-yl]-2-ethyl-4-methyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3R,4S)-1-(5-chloro-3-fluoro-2-pyridinyl)-3-ethylpiperidin-4-yl]-2-ethyl-4-methyl-1,3-oxazole-5-carboxamide
PubChem CID166619947
Molecular FormulaC19H24ClFN4O2
Molecular Weight394.88 g/mol
Exact Mass394.16
IUPAC NameN-[(3R,4S)-1-(5-chloro-3-fluoro-2-pyridinyl)-3-ethylpiperidin-4-yl]-2-ethyl-4-methyl-1,3-oxazole-5-carboxamide
SMILESCCc1nc(C)c(C(=O)N[C@H]2CCN(c3ncc(Cl)cc3F)C[C@H]2CC)o1
InChIInChI=1S/C19H24ClFN4O2/c1-4-12-10-25(18-14(21)8-13(20)9-22-18)7-6-15(12)24-19(26)17-11(3)23-16(5-2)27-17/h8-9,12,15H,4-7,10H2,1-3H3,(H,24,26)/t12-,15+/m1/s1
InChIKeyDFXGOVBXNDWZLY-DOMZBBRYSA-N
XLogP3.77
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.88
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-1-(5-chloro-3-fluoro-2-pyridinyl)-3-ethylpiperidin-4-yl]-2-ethyl-4-methyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[(3R,4S)-1-(5-chloro-3-fluoro-2-pyridinyl)-3-ethylpiperidin-4-yl]-2-ethyl-4-methyl-1,3-oxazole-5-carboxamide (CID 166619947) is N-[(3R,4S)-1-(5-chloro-3-fluoro-2-pyridinyl)-3-ethylpiperidin-4-yl]-2-ethyl-4-methyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[(3R,4S)-1-(5-chloro-3-fluoro-2-pyridinyl)-3-ethylpiperidin-4-yl]-2-ethyl-4-methyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[(3R,4S)-1-(5-chloro-3-fluoro-2-pyridinyl)-3-ethylpiperidin-4-yl]-2-ethyl-4-methyl-1,3-oxazole-5-carboxamide is CCc1nc(C)c(C(=O)N[C@H]2CCN(c3ncc(Cl)cc3F)C[C@H]2CC)o1.
What is the InChIKey of N-[(3R,4S)-1-(5-chloro-3-fluoro-2-pyridinyl)-3-ethylpiperidin-4-yl]-2-ethyl-4-methyl-1,3-oxazole-5-carboxamide?
The InChIKey is DFXGOVBXNDWZLY-DOMZBBRYSA-N. The full InChI is InChI=1S/C19H24ClFN4O2/c1-4-12-10-25(18-14(21)8-13(20)9-22-18)7-6-15(12)24-19(26)17-11(3)23-16(5-2)27-17/h8-9,12,15H,4-7,10H2,1-3H3,(H,24,26)/t12-,15+/m1/s1.
What are the key properties of N-[(3R,4S)-1-(5-chloro-3-fluoro-2-pyridinyl)-3-ethylpiperidin-4-yl]-2-ethyl-4-methyl-1,3-oxazole-5-carboxamide?
N-[(3R,4S)-1-(5-chloro-3-fluoro-2-pyridinyl)-3-ethylpiperidin-4-yl]-2-ethyl-4-methyl-1,3-oxazole-5-carboxamide has a molecular weight of 394.88 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-1-(5-chloro-3-fluoro-2-pyridinyl)-3-ethylpiperidin-4-yl]-2-ethyl-4-methyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 166619947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).