cyclopentyl 4-[5-[[2-(cyclopentylmethoxy)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-2-pyridinyl]piperazine-1-carboxylate

C26H32F3N5O5 — CID 67391968

IUPACcyclopentyl 4-[5-[[2-(cyclopentylmethoxy)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-2-pyridinyl]piperazine-1-carboxylate
SMILESO=C(Nc1ccc(N2CCN(C(=O)OC3CCCC3)CC2)nc1)c1oc(OCC2CCCC2)nc1C(F)(F)F
InChIInChI=1S/C26H32F3N5O5/c27-26(28,29)22-21(39-24(32-22)37-16-17-5-1-2-6-17)23(35)31-18-9-10-20(30-15-18)33-11-13-34(14-12-33)25(36)38-19-7-3-4-8-19/h9-10,15,17,19H,1-8,11-14,16H2,(H,31,35)
InChIKeyVUFSASJKDFRCTN-UHFFFAOYSA-N
MW551.57 g/mol
LogP5.11
Rot. Bonds7

About cyclopentyl 4-[5-[[2-(cyclopentylmethoxy)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-2-pyridinyl]piperazine-1-carboxylate

cyclopentyl 4-[5-[[2-(cyclopentylmethoxy)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-2-pyridinyl]piperazine-1-carboxylate (PubChem CID 67391968) has the molecular formula C26H32F3N5O5 and a molecular weight of 551.57 g/mol. Its IUPAC name is cyclopentyl 4-[5-[[2-(cyclopentylmethoxy)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-2-pyridinyl]piperazine-1-carboxylate.

Molecular Properties

Compound Namecyclopentyl 4-[5-[[2-(cyclopentylmethoxy)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-2-pyridinyl]piperazine-1-carboxylate
PubChem CID67391968
Molecular FormulaC26H32F3N5O5
Molecular Weight551.57 g/mol
Exact Mass551.24
IUPAC Namecyclopentyl 4-[5-[[2-(cyclopentylmethoxy)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-2-pyridinyl]piperazine-1-carboxylate
SMILESO=C(Nc1ccc(N2CCN(C(=O)OC3CCCC3)CC2)nc1)c1oc(OCC2CCCC2)nc1C(F)(F)F
InChIInChI=1S/C26H32F3N5O5/c27-26(28,29)22-21(39-24(32-22)37-16-17-5-1-2-6-17)23(35)31-18-9-10-20(30-15-18)33-11-13-34(14-12-33)25(36)38-19-7-3-4-8-19/h9-10,15,17,19H,1-8,11-14,16H2,(H,31,35)
InChIKeyVUFSASJKDFRCTN-UHFFFAOYSA-N
XLogP5.11
TPSA110.03 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.57
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze cyclopentyl 4-[5-[[2-(cyclopentylmethoxy)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-2-pyridinyl]piperazine-1-carboxylate with MolForge

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Related Compounds

4-[5-[[2-cyclohexyloxy-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-2-pyridinyl]piperazine-1-carboxylic acid
CID 91457922
propan-2-yl 4-[5-[[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-2-pyridinyl]piperazine-1-carboxylate
CID 67387021
cyclopentyl 4-[5-[2-[2-bromo-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]piperazine-1-carboxylate
CID 58429018
N-[6-[4-[(2R)-2-cyclohexyl-2-hydroxyacetyl]piperazin-1-yl]-3-pyridinyl]-2-phenyl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 46212342
N-[6-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-3-pyridinyl]-2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 67391714
N-[6-[4-(phenylcarbamoyl)piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 67293581
N-[6-[4-[(2R)-2-cyclohexyl-2-hydroxyacetyl]piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 67391114
2-phenyl-N-[6-[4-(3,3,3-trifluoro-2-hydroxypropanoyl)piperazin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 46212338
2-phenyl-N-[6-[4-(2-phenylethyl)piperidin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 46212334
2-hydroxy-3-oxo-3-[4-[5-[[2-phenyl-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-2-pyridinyl]piperazin-1-yl]propanoic acid
CID 67408854
N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-[(3R)-3-phenylpiperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 46212164
N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]-3-pyridinyl]-2-(3-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 46212711

Frequently Asked Questions

What is the IUPAC name of cyclopentyl 4-[5-[[2-(cyclopentylmethoxy)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-2-pyridinyl]piperazine-1-carboxylate?
The IUPAC name of cyclopentyl 4-[5-[[2-(cyclopentylmethoxy)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-2-pyridinyl]piperazine-1-carboxylate (CID 67391968) is cyclopentyl 4-[5-[[2-(cyclopentylmethoxy)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-2-pyridinyl]piperazine-1-carboxylate.
What is the SMILES notation for cyclopentyl 4-[5-[[2-(cyclopentylmethoxy)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-2-pyridinyl]piperazine-1-carboxylate?
The canonical SMILES for cyclopentyl 4-[5-[[2-(cyclopentylmethoxy)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-2-pyridinyl]piperazine-1-carboxylate is O=C(Nc1ccc(N2CCN(C(=O)OC3CCCC3)CC2)nc1)c1oc(OCC2CCCC2)nc1C(F)(F)F.
What is the InChIKey of cyclopentyl 4-[5-[[2-(cyclopentylmethoxy)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-2-pyridinyl]piperazine-1-carboxylate?
The InChIKey is VUFSASJKDFRCTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32F3N5O5/c27-26(28,29)22-21(39-24(32-22)37-16-17-5-1-2-6-17)23(35)31-18-9-10-20(30-15-18)33-11-13-34(14-12-33)25(36)38-19-7-3-4-8-19/h9-10,15,17,19H,1-8,11-14,16H2,(H,31,35).
What are the key properties of cyclopentyl 4-[5-[[2-(cyclopentylmethoxy)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-2-pyridinyl]piperazine-1-carboxylate?
cyclopentyl 4-[5-[[2-(cyclopentylmethoxy)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-2-pyridinyl]piperazine-1-carboxylate has a molecular weight of 551.57 g/mol, XLogP of 5.11, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 4-[5-[[2-(cyclopentylmethoxy)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-2-pyridinyl]piperazine-1-carboxylate is sourced from PubChem (CID 67391968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).