2-[4-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]-1,3-oxazole-5-carboxamide

C19H19F2N5O3 — CID 134536504

IUPAC2-[4-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]-1,3-oxazole-5-carboxamide
SMILESNC(=O)c1cnc(N2CCC(C(=O)N3N=CCC3c3cc(F)cc(F)c3)CC2)o1
InChIInChI=1S/C19H19F2N5O3/c20-13-7-12(8-14(21)9-13)15-1-4-24-26(15)18(28)11-2-5-25(6-3-11)19-23-10-16(29-19)17(22)27/h4,7-11,15H,1-3,5-6H2,(H2,22,27)
InChIKeyMGNKDHAYDSGDAS-UHFFFAOYSA-N
MW403.39 g/mol
LogP2.23
Rot. Bonds4

About 2-[4-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]-1,3-oxazole-5-carboxamide

2-[4-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]-1,3-oxazole-5-carboxamide (PubChem CID 134536504) has the molecular formula C19H19F2N5O3 and a molecular weight of 403.39 g/mol. Its IUPAC name is 2-[4-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name2-[4-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]-1,3-oxazole-5-carboxamide
PubChem CID134536504
Molecular FormulaC19H19F2N5O3
Molecular Weight403.39 g/mol
Exact Mass403.15
IUPAC Name2-[4-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]-1,3-oxazole-5-carboxamide
SMILESNC(=O)c1cnc(N2CCC(C(=O)N3N=CCC3c3cc(F)cc(F)c3)CC2)o1
InChIInChI=1S/C19H19F2N5O3/c20-13-7-12(8-14(21)9-13)15-1-4-24-26(15)18(28)11-2-5-25(6-3-11)19-23-10-16(29-19)17(22)27/h4,7-11,15H,1-3,5-6H2,(H2,22,27)
InChIKeyMGNKDHAYDSGDAS-UHFFFAOYSA-N
XLogP2.23
TPSA105.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.39
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(1,3-oxazole-5-carbonyl)piperidin-4-yl]-[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]methanone
CID 155548887
N-[(3,4-difluorophenyl)methyl]-2-[2-oxo-3-(2-phenylethyl)imidazolidin-1-yl]-1,3-oxazole-5-carboxamide
CID 71728822
N-(2,6-difluorophenyl)-2-[4-[(2Z,4E)-6-piperidin-1-ylhexa-2,4-dien-3-yl]anilino]-1,3-oxazole-5-carboxamide
CID 88575611
2-[4-[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]-1,3-oxazole-5-carboxylic acid
CID 134521407
2-[4-[3-(3,5-Difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]-1,3-oxazole-5-carboxylic acid
CID 134521409
2-[4-[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]-1,3-oxazole-5-carbonitrile
CID 134524343
2-[4-[3-(3,5-Difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]-1,3-oxazole-5-carbonitrile
CID 134524344
2-[4-[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]-1,3-oxazole-5-carboxamide
CID 134536501
ethyl 2-[4-[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]-1,3-oxazole-5-carboxylate
CID 134536539
[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[1-[5-[(methylideneamino)methyl]-1,3-oxazol-2-yl]piperidin-4-yl]methanone
CID 146251438
[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[1-(1,3-oxazol-2-yl)piperidin-4-yl]methanone
CID 154023625
2-[4-[(3S)-3-(3,5-difluorophenyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]-1,3-oxazole-5-carboxamide
CID 154697985

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]-1,3-oxazole-5-carboxamide?
The IUPAC name of 2-[4-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]-1,3-oxazole-5-carboxamide (CID 134536504) is 2-[4-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 2-[4-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]-1,3-oxazole-5-carboxamide?
The canonical SMILES for 2-[4-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]-1,3-oxazole-5-carboxamide is NC(=O)c1cnc(N2CCC(C(=O)N3N=CCC3c3cc(F)cc(F)c3)CC2)o1.
What is the InChIKey of 2-[4-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]-1,3-oxazole-5-carboxamide?
The InChIKey is MGNKDHAYDSGDAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N5O3/c20-13-7-12(8-14(21)9-13)15-1-4-24-26(15)18(28)11-2-5-25(6-3-11)19-23-10-16(29-19)17(22)27/h4,7-11,15H,1-3,5-6H2,(H2,22,27).
What are the key properties of 2-[4-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]-1,3-oxazole-5-carboxamide?
2-[4-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]-1,3-oxazole-5-carboxamide has a molecular weight of 403.39 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 134536504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).