N-cyclopropyl-3-[(3S)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide

C19H21F2N3O2 — CID 92568130

IUPACN-cyclopropyl-3-[(3S)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide
SMILESO=C(NC1CC1)c1cc([C@H]2CCCN(Cc3ccc(F)c(F)c3)C2)no1
InChIInChI=1S/C19H21F2N3O2/c20-15-6-3-12(8-16(15)21)10-24-7-1-2-13(11-24)17-9-18(26-23-17)19(25)22-14-4-5-14/h3,6,8-9,13-14H,1-2,4-5,7,10-11H2,(H,22,25)/t13-/m0/s1
InChIKeyGZIMQZMYMWBDNY-ZDUSSCGKSA-N
MW361.39 g/mol
LogP3.22
Rot. Bonds5

About N-cyclopropyl-3-[(3S)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide

N-cyclopropyl-3-[(3S)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide (PubChem CID 92568130) has the molecular formula C19H21F2N3O2 and a molecular weight of 361.39 g/mol. Its IUPAC name is N-cyclopropyl-3-[(3S)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[(3S)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide
PubChem CID92568130
Molecular FormulaC19H21F2N3O2
Molecular Weight361.39 g/mol
Exact Mass361.16
IUPAC NameN-cyclopropyl-3-[(3S)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide
SMILESO=C(NC1CC1)c1cc([C@H]2CCCN(Cc3ccc(F)c(F)c3)C2)no1
InChIInChI=1S/C19H21F2N3O2/c20-15-6-3-12(8-16(15)21)10-24-7-1-2-13(11-24)17-9-18(26-23-17)19(25)22-14-4-5-14/h3,6,8-9,13-14H,1-2,4-5,7,10-11H2,(H,22,25)/t13-/m0/s1
InChIKeyGZIMQZMYMWBDNY-ZDUSSCGKSA-N
XLogP3.22
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.39
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-3-[1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 110228950
3-[(3S)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-N-(pyridin-4-ylmethyl)-1,2-oxazole-5-carboxamide
CID 92568136
3-[(3S)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-N-[(3-fluorophenyl)methyl]-1,2-oxazole-5-carboxamide
CID 92568673
3-[(3R)-1-benzylpiperidin-3-yl]-N-cyclohexyl-1,2-oxazole-5-carboxamide
CID 92574817
N-cyclopropyl-3-[(3R)-1-(quinolin-6-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 92572171
N-cyclohexyl-3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 110252063
N-cyclohexyl-3-[(3R)-1-[(3-methylphenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 124999270
N-cyclohexyl-3-[(3R)-1-[(3-methylsulfanylphenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 124961712
N-(1-benzylpiperidin-4-yl)-3-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 110089253
N-cyclohexyl-3-[(3S)-1-(quinolin-4-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 92576546
N-[(3-fluorophenyl)methyl]-3-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 110229075
N-cyclohexyl-3-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 125021653

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[(3S)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-cyclopropyl-3-[(3S)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide (CID 92568130) is N-cyclopropyl-3-[(3S)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-cyclopropyl-3-[(3S)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-cyclopropyl-3-[(3S)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide is O=C(NC1CC1)c1cc([C@H]2CCCN(Cc3ccc(F)c(F)c3)C2)no1.
What is the InChIKey of N-cyclopropyl-3-[(3S)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide?
The InChIKey is GZIMQZMYMWBDNY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H21F2N3O2/c20-15-6-3-12(8-16(15)21)10-24-7-1-2-13(11-24)17-9-18(26-23-17)19(25)22-14-4-5-14/h3,6,8-9,13-14H,1-2,4-5,7,10-11H2,(H,22,25)/t13-/m0/s1.
What are the key properties of N-cyclopropyl-3-[(3S)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide?
N-cyclopropyl-3-[(3S)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide has a molecular weight of 361.39 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[(3S)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 92568130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).