N-[1-ethyl-3-(2-methylpropylcarbamoyl)pyrazol-4-yl]-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide

C20H22FN5O3 — CID 19402672

IUPACN-[1-ethyl-3-(2-methylpropylcarbamoyl)pyrazol-4-yl]-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
SMILESCCn1cc(NC(=O)c2cc(-c3ccc(F)cc3)on2)c(C(=O)NCC(C)C)n1
InChIInChI=1S/C20H22FN5O3/c1-4-26-11-16(18(24-26)20(28)22-10-12(2)3)23-19(27)15-9-17(29-25-15)13-5-7-14(21)8-6-13/h5-9,11-12H,4,10H2,1-3H3,(H,22,28)(H,23,27)
InChIKeyCIJVAYAPLGUDHH-UHFFFAOYSA-N
MW399.43 g/mol
LogP3.34
Rot. Bonds7

About N-[1-ethyl-3-(2-methylpropylcarbamoyl)pyrazol-4-yl]-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide

N-[1-ethyl-3-(2-methylpropylcarbamoyl)pyrazol-4-yl]-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide (PubChem CID 19402672) has the molecular formula C20H22FN5O3 and a molecular weight of 399.43 g/mol. Its IUPAC name is N-[1-ethyl-3-(2-methylpropylcarbamoyl)pyrazol-4-yl]-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-ethyl-3-(2-methylpropylcarbamoyl)pyrazol-4-yl]-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
PubChem CID19402672
Molecular FormulaC20H22FN5O3
Molecular Weight399.43 g/mol
Exact Mass399.17
IUPAC NameN-[1-ethyl-3-(2-methylpropylcarbamoyl)pyrazol-4-yl]-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
SMILESCCn1cc(NC(=O)c2cc(-c3ccc(F)cc3)on2)c(C(=O)NCC(C)C)n1
InChIInChI=1S/C20H22FN5O3/c1-4-26-11-16(18(24-26)20(28)22-10-12(2)3)23-19(27)15-9-17(29-25-15)13-5-7-14(21)8-6-13/h5-9,11-12H,4,10H2,1-3H3,(H,22,28)(H,23,27)
InChIKeyCIJVAYAPLGUDHH-UHFFFAOYSA-N
XLogP3.34
TPSA102.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.43
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-ethyl-4-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 19514654
1-ethyl-4-[[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]amino]-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 19514042
N-[(1-ethylpyrazol-4-yl)methyl]-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 19290726
5-(4-fluorophenyl)-N-pentan-2-yl-1,2-oxazole-3-carboxamide
CID 133149974
N-[5-(dimethylcarbamoyl)-1-ethylpyrazol-4-yl]-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 19339982
N-[(2S)-butan-2-yl]-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 41098446
5-(1-ethylpyrazol-4-yl)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-1,2-oxazole-3-carboxamide
CID 46975544
1-ethyl-N-(2-methylpropyl)-4-[[1-[(4-phenylphenoxy)methyl]pyrazole-3-carbonyl]amino]pyrazole-3-carboxamide
CID 19273568
4-[[3-[(2,4-difluorophenoxy)methyl]benzoyl]amino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 19402628
1-ethyl-4-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 19402598
1-ethyl-N-(2-methylpropyl)-4-[3-(5-methylpyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide
CID 19570015
4-(butylcarbamoylamino)-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 19448031

Frequently Asked Questions

What is the IUPAC name of N-[1-ethyl-3-(2-methylpropylcarbamoyl)pyrazol-4-yl]-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[1-ethyl-3-(2-methylpropylcarbamoyl)pyrazol-4-yl]-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide (CID 19402672) is N-[1-ethyl-3-(2-methylpropylcarbamoyl)pyrazol-4-yl]-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[1-ethyl-3-(2-methylpropylcarbamoyl)pyrazol-4-yl]-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[1-ethyl-3-(2-methylpropylcarbamoyl)pyrazol-4-yl]-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide is CCn1cc(NC(=O)c2cc(-c3ccc(F)cc3)on2)c(C(=O)NCC(C)C)n1.
What is the InChIKey of N-[1-ethyl-3-(2-methylpropylcarbamoyl)pyrazol-4-yl]-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is CIJVAYAPLGUDHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5O3/c1-4-26-11-16(18(24-26)20(28)22-10-12(2)3)23-19(27)15-9-17(29-25-15)13-5-7-14(21)8-6-13/h5-9,11-12H,4,10H2,1-3H3,(H,22,28)(H,23,27).
What are the key properties of N-[1-ethyl-3-(2-methylpropylcarbamoyl)pyrazol-4-yl]-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide?
N-[1-ethyl-3-(2-methylpropylcarbamoyl)pyrazol-4-yl]-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 399.43 g/mol, XLogP of 3.34, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-ethyl-3-(2-methylpropylcarbamoyl)pyrazol-4-yl]-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 19402672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).