N-[4-[2-[4-[3-(5-tert-butyl-1,2-oxazol-3-yl)-2-oxopropyl]-3-fluorophenyl]ethyl]-2-pyridinyl]cyclopropanecarboxamide

C27H30FN3O3 — CID 161186398

IUPACN-[4-[2-[4-[3-(5-tert-butyl-1,2-oxazol-3-yl)-2-oxopropyl]-3-fluorophenyl]ethyl]-2-pyridinyl]cyclopropanecarboxamide
SMILESCC(C)(C)c1cc(CC(=O)Cc2ccc(CCc3ccnc(NC(=O)C4CC4)c3)cc2F)no1
InChIInChI=1S/C27H30FN3O3/c1-27(2,3)24-16-21(31-34-24)15-22(32)14-20-7-6-17(12-23(20)28)4-5-18-10-11-29-25(13-18)30-26(33)19-8-9-19/h6-7,10-13,16,19H,4-5,8-9,14-15H2,1-3H3,(H,29,30,33)
InChIKeyUTDGFYNYMMTCEZ-UHFFFAOYSA-N
MW463.55 g/mol
LogP4.99
Rot. Bonds9

About N-[4-[2-[4-[3-(5-tert-butyl-1,2-oxazol-3-yl)-2-oxopropyl]-3-fluorophenyl]ethyl]-2-pyridinyl]cyclopropanecarboxamide

N-[4-[2-[4-[3-(5-tert-butyl-1,2-oxazol-3-yl)-2-oxopropyl]-3-fluorophenyl]ethyl]-2-pyridinyl]cyclopropanecarboxamide (PubChem CID 161186398) has the molecular formula C27H30FN3O3 and a molecular weight of 463.55 g/mol. Its IUPAC name is N-[4-[2-[4-[3-(5-tert-butyl-1,2-oxazol-3-yl)-2-oxopropyl]-3-fluorophenyl]ethyl]-2-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[2-[4-[3-(5-tert-butyl-1,2-oxazol-3-yl)-2-oxopropyl]-3-fluorophenyl]ethyl]-2-pyridinyl]cyclopropanecarboxamide
PubChem CID161186398
Molecular FormulaC27H30FN3O3
Molecular Weight463.55 g/mol
Exact Mass463.23
IUPAC NameN-[4-[2-[4-[3-(5-tert-butyl-1,2-oxazol-3-yl)-2-oxopropyl]-3-fluorophenyl]ethyl]-2-pyridinyl]cyclopropanecarboxamide
SMILESCC(C)(C)c1cc(CC(=O)Cc2ccc(CCc3ccnc(NC(=O)C4CC4)c3)cc2F)no1
InChIInChI=1S/C27H30FN3O3/c1-27(2,3)24-16-21(31-34-24)15-22(32)14-20-7-6-17(12-23(20)28)4-5-18-10-11-29-25(13-18)30-26(33)19-8-9-19/h6-7,10-13,16,19H,4-5,8-9,14-15H2,1-3H3,(H,29,30,33)
InChIKeyUTDGFYNYMMTCEZ-UHFFFAOYSA-N
XLogP4.99
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.55
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethyl-2-pyridinyl)cyclopropanecarboxamide
CID 89291693
N-[4-[3-fluoro-4-[3-[4-fluoro-3-(trifluoromethoxy)phenyl]-2-oxopropyl]phenoxy]-2-pyridinyl]cyclopropanecarboxamide
CID 147855444
N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]cyclohexanecarboxamide
CID 59420472
N-[4-[4-[3-[5-(1,1-difluoroethyl)-2-fluorophenyl]-2-oxopropyl]phenoxy]-2-pyridinyl]cyclopropanecarboxamide
CID 152963716
N-[4-[2-fluoro-4-[4-oxo-7-[2-(trifluoromethyl)-4-pyridinyl]heptyl]phenoxy]-2-pyridinyl]cyclopropanecarboxamide
CID 123644141
N-[4-[4-[3-(5-tert-butyl-1,3-oxazol-2-yl)-3-oxopropyl]-3-methylphenyl]-2-pyridinyl]cyclopropanecarboxamide
CID 167679607
N-[4-[4-[3-[5-(1,1-difluoroethyl)-3-pyridinyl]-2-oxopropyl]-2-fluorophenoxy]-2-pyridinyl]cyclopropanecarboxamide
CID 158140478
N-[4-[2-(4-aminophenyl)ethyl]phenyl]-2-(5-tert-butyl-1,2-oxazol-3-yl)acetamide
CID 59420452
N-[4-[4-[3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-oxopropyl]-2-fluoro-5-(trifluoromethyl)phenyl]-2-pyridinyl]cyclopropanecarboxamide
CID 167685178
N-[4-[4-(aminomethyl)-3-methylphenyl]-2-pyridinyl]cyclopropanecarboxamide
CID 155288152
N-[4-[4-[3-[3-fluoro-5-(trifluoromethyl)phenyl]-2-oxopropyl]-3-methylphenoxy]-2-pyridinyl]cyclopropanecarboxamide
CID 158668032
3-tert-butyl-N-[[4-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-2-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide
CID 155288155

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-[3-(5-tert-butyl-1,2-oxazol-3-yl)-2-oxopropyl]-3-fluorophenyl]ethyl]-2-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[2-[4-[3-(5-tert-butyl-1,2-oxazol-3-yl)-2-oxopropyl]-3-fluorophenyl]ethyl]-2-pyridinyl]cyclopropanecarboxamide (CID 161186398) is N-[4-[2-[4-[3-(5-tert-butyl-1,2-oxazol-3-yl)-2-oxopropyl]-3-fluorophenyl]ethyl]-2-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[2-[4-[3-(5-tert-butyl-1,2-oxazol-3-yl)-2-oxopropyl]-3-fluorophenyl]ethyl]-2-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[2-[4-[3-(5-tert-butyl-1,2-oxazol-3-yl)-2-oxopropyl]-3-fluorophenyl]ethyl]-2-pyridinyl]cyclopropanecarboxamide is CC(C)(C)c1cc(CC(=O)Cc2ccc(CCc3ccnc(NC(=O)C4CC4)c3)cc2F)no1.
What is the InChIKey of N-[4-[2-[4-[3-(5-tert-butyl-1,2-oxazol-3-yl)-2-oxopropyl]-3-fluorophenyl]ethyl]-2-pyridinyl]cyclopropanecarboxamide?
The InChIKey is UTDGFYNYMMTCEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30FN3O3/c1-27(2,3)24-16-21(31-34-24)15-22(32)14-20-7-6-17(12-23(20)28)4-5-18-10-11-29-25(13-18)30-26(33)19-8-9-19/h6-7,10-13,16,19H,4-5,8-9,14-15H2,1-3H3,(H,29,30,33).
What are the key properties of N-[4-[2-[4-[3-(5-tert-butyl-1,2-oxazol-3-yl)-2-oxopropyl]-3-fluorophenyl]ethyl]-2-pyridinyl]cyclopropanecarboxamide?
N-[4-[2-[4-[3-(5-tert-butyl-1,2-oxazol-3-yl)-2-oxopropyl]-3-fluorophenyl]ethyl]-2-pyridinyl]cyclopropanecarboxamide has a molecular weight of 463.55 g/mol, XLogP of 4.99, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-[3-(5-tert-butyl-1,2-oxazol-3-yl)-2-oxopropyl]-3-fluorophenyl]ethyl]-2-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 161186398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).