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

C19H19F2N5O3 — CID 134521471

IUPAC2-[4-[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]-1,3-oxazole-4-carboxamide
SMILESNC(=O)c1coc(N2CCC(C(=O)N3N=CC[C@H]3c3cc(F)cc(F)c3)CC2)n1
InChIInChI=1S/C19H19F2N5O3/c20-13-7-12(8-14(21)9-13)16-1-4-23-26(16)18(28)11-2-5-25(6-3-11)19-24-15(10-29-19)17(22)27/h4,7-11,16H,1-3,5-6H2,(H2,22,27)/t16-/m0/s1
InChIKeyLDUKDYOKTJBWHA-INIZCTEOSA-N
MW403.39 g/mol
LogP2.23
Rot. Bonds4

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

2-[4-[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]-1,3-oxazole-4-carboxamide (PubChem CID 134521471) has the molecular formula C19H19F2N5O3 and a molecular weight of 403.39 g/mol. Its IUPAC name is 2-[4-[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[4-[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]-1,3-oxazole-4-carboxamide
PubChem CID134521471
Molecular FormulaC19H19F2N5O3
Molecular Weight403.39 g/mol
Exact Mass403.15
IUPAC Name2-[4-[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]-1,3-oxazole-4-carboxamide
SMILESNC(=O)c1coc(N2CCC(C(=O)N3N=CC[C@H]3c3cc(F)cc(F)c3)CC2)n1
InChIInChI=1S/C19H19F2N5O3/c20-13-7-12(8-14(21)9-13)16-1-4-23-26(16)18(28)11-2-5-25(6-3-11)19-24-15(10-29-19)17(22)27/h4,7-11,16H,1-3,5-6H2,(H2,22,27)/t16-/m0/s1
InChIKeyLDUKDYOKTJBWHA-INIZCTEOSA-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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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[4-[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]-1,3-oxazole-4-carboxamide (CID 134521471) is 2-[4-[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[4-[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[4-[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]-1,3-oxazole-4-carboxamide is NC(=O)c1coc(N2CCC(C(=O)N3N=CC[C@H]3c3cc(F)cc(F)c3)CC2)n1.
What is the InChIKey of 2-[4-[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]-1,3-oxazole-4-carboxamide?
The InChIKey is LDUKDYOKTJBWHA-INIZCTEOSA-N. The full InChI is InChI=1S/C19H19F2N5O3/c20-13-7-12(8-14(21)9-13)16-1-4-23-26(16)18(28)11-2-5-25(6-3-11)19-24-15(10-29-19)17(22)27/h4,7-11,16H,1-3,5-6H2,(H2,22,27)/t16-/m0/s1.
What are the key properties of 2-[4-[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]-1,3-oxazole-4-carboxamide?
2-[4-[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]-1,3-oxazole-4-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-[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 134521471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).