N-[(3R,4R)-1-[[2-(difluoromethoxy)phenyl]methyl]-3-hydroxypiperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide

C18H21F2N3O4 — CID 118790819

IUPACN-[(3R,4R)-1-[[2-(difluoromethoxy)phenyl]methyl]-3-hydroxypiperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)N[C@@H]2CCN(Cc3ccccc3OC(F)F)C[C@H]2O)no1
InChIInChI=1S/C18H21F2N3O4/c1-11-8-14(22-27-11)17(25)21-13-6-7-23(10-15(13)24)9-12-4-2-3-5-16(12)26-18(19)20/h2-5,8,13,15,18,24H,6-7,9-10H2,1H3,(H,21,25)/t13-,15-/m1/s1
InChIKeyLASBHNCMPBMOEC-UKRRQHHQSA-N
MW381.38 g/mol
LogP1.95
Rot. Bonds6

About N-[(3R,4R)-1-[[2-(difluoromethoxy)phenyl]methyl]-3-hydroxypiperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide

N-[(3R,4R)-1-[[2-(difluoromethoxy)phenyl]methyl]-3-hydroxypiperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 118790819) has the molecular formula C18H21F2N3O4 and a molecular weight of 381.38 g/mol. Its IUPAC name is N-[(3R,4R)-1-[[2-(difluoromethoxy)phenyl]methyl]-3-hydroxypiperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3R,4R)-1-[[2-(difluoromethoxy)phenyl]methyl]-3-hydroxypiperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID118790819
Molecular FormulaC18H21F2N3O4
Molecular Weight381.38 g/mol
Exact Mass381.15
IUPAC NameN-[(3R,4R)-1-[[2-(difluoromethoxy)phenyl]methyl]-3-hydroxypiperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)N[C@@H]2CCN(Cc3ccccc3OC(F)F)C[C@H]2O)no1
InChIInChI=1S/C18H21F2N3O4/c1-11-8-14(22-27-11)17(25)21-13-6-7-23(10-15(13)24)9-12-4-2-3-5-16(12)26-18(19)20/h2-5,8,13,15,18,24H,6-7,9-10H2,1H3,(H,21,25)/t13-,15-/m1/s1
InChIKeyLASBHNCMPBMOEC-UKRRQHHQSA-N
XLogP1.95
TPSA87.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.38
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3S,4S)-1-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-3-hydroxypiperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 164633980
methyl 1-[[2-(difluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxylate
CID 112730646
N-[(3R,4R)-1-(1-acetylpiperidine-4-carbonyl)-3-hydroxypiperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 118766414
1-[[2-(difluoromethoxy)phenyl]methyl]piperidine-3-carboxylic acid
CID 43440909
N-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 104957455
1-[[2-(difluoromethoxy)phenyl]methyl]-N,N-dimethylpiperidine-3-carboxamide
CID 56822095
3-[[2-(difluoromethoxy)phenyl]methyl]-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
CID 87003197
2-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]acetic acid
CID 62688742
N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 119043015
N-[(3R,4R)-3-hydroxy-1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 118786054
N-[(1S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 154780076
N-[(3R,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxypiperidin-4-yl]imidazo[1,2-a]pyridine-2-carboxamide
CID 118776243

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-1-[[2-(difluoromethoxy)phenyl]methyl]-3-hydroxypiperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(3R,4R)-1-[[2-(difluoromethoxy)phenyl]methyl]-3-hydroxypiperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide (CID 118790819) is N-[(3R,4R)-1-[[2-(difluoromethoxy)phenyl]methyl]-3-hydroxypiperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(3R,4R)-1-[[2-(difluoromethoxy)phenyl]methyl]-3-hydroxypiperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(3R,4R)-1-[[2-(difluoromethoxy)phenyl]methyl]-3-hydroxypiperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)N[C@@H]2CCN(Cc3ccccc3OC(F)F)C[C@H]2O)no1.
What is the InChIKey of N-[(3R,4R)-1-[[2-(difluoromethoxy)phenyl]methyl]-3-hydroxypiperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is LASBHNCMPBMOEC-UKRRQHHQSA-N. The full InChI is InChI=1S/C18H21F2N3O4/c1-11-8-14(22-27-11)17(25)21-13-6-7-23(10-15(13)24)9-12-4-2-3-5-16(12)26-18(19)20/h2-5,8,13,15,18,24H,6-7,9-10H2,1H3,(H,21,25)/t13-,15-/m1/s1.
What are the key properties of N-[(3R,4R)-1-[[2-(difluoromethoxy)phenyl]methyl]-3-hydroxypiperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide?
N-[(3R,4R)-1-[[2-(difluoromethoxy)phenyl]methyl]-3-hydroxypiperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 381.38 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-1-[[2-(difluoromethoxy)phenyl]methyl]-3-hydroxypiperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 118790819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).