5-cyclopropyl-N-[6-(4-fluoroanilino)-5-methyl-6-oxohex-1-en-2-yl]-1,2-oxazole-3-carboxamide

C20H22FN3O3 — CID 166896801

IUPAC5-cyclopropyl-N-[6-(4-fluoroanilino)-5-methyl-6-oxohex-1-en-2-yl]-1,2-oxazole-3-carboxamide
SMILESC=C(CCC(C)C(=O)Nc1ccc(F)cc1)NC(=O)c1cc(C2CC2)on1
InChIInChI=1S/C20H22FN3O3/c1-12(19(25)23-16-9-7-15(21)8-10-16)3-4-13(2)22-20(26)17-11-18(27-24-17)14-5-6-14/h7-12,14H,2-6H2,1H3,(H,22,26)(H,23,25)
InChIKeyTVDISGPSKNPBMG-UHFFFAOYSA-N
MW371.41 g/mol
LogP3.99
Rot. Bonds8

About 5-cyclopropyl-N-[6-(4-fluoroanilino)-5-methyl-6-oxohex-1-en-2-yl]-1,2-oxazole-3-carboxamide

5-cyclopropyl-N-[6-(4-fluoroanilino)-5-methyl-6-oxohex-1-en-2-yl]-1,2-oxazole-3-carboxamide (PubChem CID 166896801) has the molecular formula C20H22FN3O3 and a molecular weight of 371.41 g/mol. Its IUPAC name is 5-cyclopropyl-N-[6-(4-fluoroanilino)-5-methyl-6-oxohex-1-en-2-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[6-(4-fluoroanilino)-5-methyl-6-oxohex-1-en-2-yl]-1,2-oxazole-3-carboxamide
PubChem CID166896801
Molecular FormulaC20H22FN3O3
Molecular Weight371.41 g/mol
Exact Mass371.16
IUPAC Name5-cyclopropyl-N-[6-(4-fluoroanilino)-5-methyl-6-oxohex-1-en-2-yl]-1,2-oxazole-3-carboxamide
SMILESC=C(CCC(C)C(=O)Nc1ccc(F)cc1)NC(=O)c1cc(C2CC2)on1
InChIInChI=1S/C20H22FN3O3/c1-12(19(25)23-16-9-7-15(21)8-10-16)3-4-13(2)22-20(26)17-11-18(27-24-17)14-5-6-14/h7-12,14H,2-6H2,1H3,(H,22,26)(H,23,25)
InChIKeyTVDISGPSKNPBMG-UHFFFAOYSA-N
XLogP3.99
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-cyclopropyl-N-[6-(4-fluoroanilino)-5-methyl-6-oxohex-1-en-2-yl]-1,2-oxazole-3-carboxamide with MolForge

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Related Compounds

N-[6-(4-fluoroanilino)-5-methyl-6-oxohex-1-en-2-yl]indolizine-2-carboxamide
CID 166896803
tert-butyl N-[(5S)-6-(4-fluoroanilino)-5-methyl-6-oxohex-1-en-2-yl]carbamate
CID 156549433
N-(4-fluorophenyl)-2-methyl-5-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]hex-5-enamide
CID 156550235
(2S)-N-(4-fluorophenyl)-2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]hex-5-enamide
CID 166896952
2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-5-methoxy-5-oxopentanoic acid
CID 82780615
5-cyclopropyl-N-(1-ethyl-6-oxo-3-pyridinyl)-1,2-oxazole-3-carboxamide
CID 146323310
N-butan-2-yl-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 6621450
4-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-2-fluorobenzoic acid
CID 103791445
(2S)-N-(4-fluorophenyl)-2-methylbutanamide
CID 838022
3,4-dichloro-N-[6-[(6-chloro-3-pyridinyl)amino]-5-methyl-6-oxohex-1-en-2-yl]benzamide
CID 166896707
2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]butanoic acid
CID 43469491
5-cyclopropyl-N-(1-hydroxy-4-methoxybutan-2-yl)-1,2-oxazole-3-carboxamide
CID 114211248

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[6-(4-fluoroanilino)-5-methyl-6-oxohex-1-en-2-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[6-(4-fluoroanilino)-5-methyl-6-oxohex-1-en-2-yl]-1,2-oxazole-3-carboxamide (CID 166896801) is 5-cyclopropyl-N-[6-(4-fluoroanilino)-5-methyl-6-oxohex-1-en-2-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[6-(4-fluoroanilino)-5-methyl-6-oxohex-1-en-2-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[6-(4-fluoroanilino)-5-methyl-6-oxohex-1-en-2-yl]-1,2-oxazole-3-carboxamide is C=C(CCC(C)C(=O)Nc1ccc(F)cc1)NC(=O)c1cc(C2CC2)on1.
What is the InChIKey of 5-cyclopropyl-N-[6-(4-fluoroanilino)-5-methyl-6-oxohex-1-en-2-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is TVDISGPSKNPBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O3/c1-12(19(25)23-16-9-7-15(21)8-10-16)3-4-13(2)22-20(26)17-11-18(27-24-17)14-5-6-14/h7-12,14H,2-6H2,1H3,(H,22,26)(H,23,25).
What are the key properties of 5-cyclopropyl-N-[6-(4-fluoroanilino)-5-methyl-6-oxohex-1-en-2-yl]-1,2-oxazole-3-carboxamide?
5-cyclopropyl-N-[6-(4-fluoroanilino)-5-methyl-6-oxohex-1-en-2-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 371.41 g/mol, XLogP of 3.99, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[6-(4-fluoroanilino)-5-methyl-6-oxohex-1-en-2-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 166896801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).