N-[(3,4-difluorophenyl)methyl]-3-[1-(1,3-oxazole-5-carbonyl)piperidin-3-yl]propanamide

C19H21F2N3O3 — CID 72878813

IUPACN-[(3,4-difluorophenyl)methyl]-3-[1-(1,3-oxazole-5-carbonyl)piperidin-3-yl]propanamide
SMILESO=C(CCC1CCCN(C(=O)c2cnco2)C1)NCc1ccc(F)c(F)c1
InChIInChI=1S/C19H21F2N3O3/c20-15-5-3-14(8-16(15)21)9-23-18(25)6-4-13-2-1-7-24(11-13)19(26)17-10-22-12-27-17/h3,5,8,10,12-13H,1-2,4,6-7,9,11H2,(H,23,25)
InChIKeyATRPUJXKMCEXAA-UHFFFAOYSA-N
MW377.39 g/mol
LogP2.90
Rot. Bonds6

About N-[(3,4-difluorophenyl)methyl]-3-[1-(1,3-oxazole-5-carbonyl)piperidin-3-yl]propanamide

N-[(3,4-difluorophenyl)methyl]-3-[1-(1,3-oxazole-5-carbonyl)piperidin-3-yl]propanamide (PubChem CID 72878813) has the molecular formula C19H21F2N3O3 and a molecular weight of 377.39 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-3-[1-(1,3-oxazole-5-carbonyl)piperidin-3-yl]propanamide.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-3-[1-(1,3-oxazole-5-carbonyl)piperidin-3-yl]propanamide
PubChem CID72878813
Molecular FormulaC19H21F2N3O3
Molecular Weight377.39 g/mol
Exact Mass377.16
IUPAC NameN-[(3,4-difluorophenyl)methyl]-3-[1-(1,3-oxazole-5-carbonyl)piperidin-3-yl]propanamide
SMILESO=C(CCC1CCCN(C(=O)c2cnco2)C1)NCc1ccc(F)c(F)c1
InChIInChI=1S/C19H21F2N3O3/c20-15-5-3-14(8-16(15)21)9-23-18(25)6-4-13-2-1-7-24(11-13)19(26)17-10-22-12-27-17/h3,5,8,10,12-13H,1-2,4,6-7,9,11H2,(H,23,25)
InChIKeyATRPUJXKMCEXAA-UHFFFAOYSA-N
XLogP2.90
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.39
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-3-[1-(1,3-oxazole-5-carbonyl)piperidin-3-yl]propanamide?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]-3-[1-(1,3-oxazole-5-carbonyl)piperidin-3-yl]propanamide (CID 72878813) is N-[(3,4-difluorophenyl)methyl]-3-[1-(1,3-oxazole-5-carbonyl)piperidin-3-yl]propanamide.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-3-[1-(1,3-oxazole-5-carbonyl)piperidin-3-yl]propanamide?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-3-[1-(1,3-oxazole-5-carbonyl)piperidin-3-yl]propanamide is O=C(CCC1CCCN(C(=O)c2cnco2)C1)NCc1ccc(F)c(F)c1.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-3-[1-(1,3-oxazole-5-carbonyl)piperidin-3-yl]propanamide?
The InChIKey is ATRPUJXKMCEXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3O3/c20-15-5-3-14(8-16(15)21)9-23-18(25)6-4-13-2-1-7-24(11-13)19(26)17-10-22-12-27-17/h3,5,8,10,12-13H,1-2,4,6-7,9,11H2,(H,23,25).
What are the key properties of N-[(3,4-difluorophenyl)methyl]-3-[1-(1,3-oxazole-5-carbonyl)piperidin-3-yl]propanamide?
N-[(3,4-difluorophenyl)methyl]-3-[1-(1,3-oxazole-5-carbonyl)piperidin-3-yl]propanamide has a molecular weight of 377.39 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methyl]-3-[1-(1,3-oxazole-5-carbonyl)piperidin-3-yl]propanamide is sourced from PubChem (CID 72878813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).