3-(2-fluorophenyl)-N-[1-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-3,5-dimethylpyrazol-4-yl]-1,2-oxazole-5-carboxamide

C21H24FN5O4 — CID 6624101

IUPAC3-(2-fluorophenyl)-N-[1-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-3,5-dimethylpyrazol-4-yl]-1,2-oxazole-5-carboxamide
SMILESCOCC(C)NC(=O)Cn1nc(C)c(NC(=O)c2cc(-c3ccccc3F)no2)c1C
InChIInChI=1S/C21H24FN5O4/c1-12(11-30-4)23-19(28)10-27-14(3)20(13(2)25-27)24-21(29)18-9-17(26-31-18)15-7-5-6-8-16(15)22/h5-9,12H,10-11H2,1-4H3,(H,23,28)(H,24,29)
InChIKeyUTJFFHZTSYTJPL-UHFFFAOYSA-N
MW429.45 g/mol
LogP2.70
Rot. Bonds8

About 3-(2-fluorophenyl)-N-[1-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-3,5-dimethylpyrazol-4-yl]-1,2-oxazole-5-carboxamide

3-(2-fluorophenyl)-N-[1-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-3,5-dimethylpyrazol-4-yl]-1,2-oxazole-5-carboxamide (PubChem CID 6624101) has the molecular formula C21H24FN5O4 and a molecular weight of 429.45 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-[1-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-3,5-dimethylpyrazol-4-yl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-[1-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-3,5-dimethylpyrazol-4-yl]-1,2-oxazole-5-carboxamide
PubChem CID6624101
Molecular FormulaC21H24FN5O4
Molecular Weight429.45 g/mol
Exact Mass429.18
IUPAC Name3-(2-fluorophenyl)-N-[1-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-3,5-dimethylpyrazol-4-yl]-1,2-oxazole-5-carboxamide
SMILESCOCC(C)NC(=O)Cn1nc(C)c(NC(=O)c2cc(-c3ccccc3F)no2)c1C
InChIInChI=1S/C21H24FN5O4/c1-12(11-30-4)23-19(28)10-27-14(3)20(13(2)25-27)24-21(29)18-9-17(26-31-18)15-7-5-6-8-16(15)22/h5-9,12H,10-11H2,1-4H3,(H,23,28)(H,24,29)
InChIKeyUTJFFHZTSYTJPL-UHFFFAOYSA-N
XLogP2.70
TPSA111.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.45
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N-[1-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-3,5-dimethylpyrazol-4-yl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(2-fluorophenyl)-N-[1-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-3,5-dimethylpyrazol-4-yl]-1,2-oxazole-5-carboxamide (CID 6624101) is 3-(2-fluorophenyl)-N-[1-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-3,5-dimethylpyrazol-4-yl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(2-fluorophenyl)-N-[1-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-3,5-dimethylpyrazol-4-yl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(2-fluorophenyl)-N-[1-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-3,5-dimethylpyrazol-4-yl]-1,2-oxazole-5-carboxamide is COCC(C)NC(=O)Cn1nc(C)c(NC(=O)c2cc(-c3ccccc3F)no2)c1C.
What is the InChIKey of 3-(2-fluorophenyl)-N-[1-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-3,5-dimethylpyrazol-4-yl]-1,2-oxazole-5-carboxamide?
The InChIKey is UTJFFHZTSYTJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN5O4/c1-12(11-30-4)23-19(28)10-27-14(3)20(13(2)25-27)24-21(29)18-9-17(26-31-18)15-7-5-6-8-16(15)22/h5-9,12H,10-11H2,1-4H3,(H,23,28)(H,24,29).
What are the key properties of 3-(2-fluorophenyl)-N-[1-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-3,5-dimethylpyrazol-4-yl]-1,2-oxazole-5-carboxamide?
3-(2-fluorophenyl)-N-[1-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-3,5-dimethylpyrazol-4-yl]-1,2-oxazole-5-carboxamide has a molecular weight of 429.45 g/mol, XLogP of 2.70, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-N-[1-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-3,5-dimethylpyrazol-4-yl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 6624101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).