N-[5-(dimethylcarbamoyl)-1-ethylpyrazol-4-yl]-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide

C18H18FN5O3 — CID 19339982

IUPACN-[5-(dimethylcarbamoyl)-1-ethylpyrazol-4-yl]-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
SMILESCCn1ncc(NC(=O)c2cc(-c3ccc(F)cc3)on2)c1C(=O)N(C)C
InChIInChI=1S/C18H18FN5O3/c1-4-24-16(18(26)23(2)3)14(10-20-24)21-17(25)13-9-15(27-22-13)11-5-7-12(19)8-6-11/h5-10H,4H2,1-3H3,(H,21,25)
InChIKeySVRWNXJODSDYGB-UHFFFAOYSA-N
MW371.37 g/mol
LogP2.65
Rot. Bonds5

About N-[5-(dimethylcarbamoyl)-1-ethylpyrazol-4-yl]-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide

N-[5-(dimethylcarbamoyl)-1-ethylpyrazol-4-yl]-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide (PubChem CID 19339982) has the molecular formula C18H18FN5O3 and a molecular weight of 371.37 g/mol. Its IUPAC name is N-[5-(dimethylcarbamoyl)-1-ethylpyrazol-4-yl]-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[5-(dimethylcarbamoyl)-1-ethylpyrazol-4-yl]-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
PubChem CID19339982
Molecular FormulaC18H18FN5O3
Molecular Weight371.37 g/mol
Exact Mass371.14
IUPAC NameN-[5-(dimethylcarbamoyl)-1-ethylpyrazol-4-yl]-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
SMILESCCn1ncc(NC(=O)c2cc(-c3ccc(F)cc3)on2)c1C(=O)N(C)C
InChIInChI=1S/C18H18FN5O3/c1-4-24-16(18(26)23(2)3)14(10-20-24)21-17(25)13-9-15(27-22-13)11-5-7-12(19)8-6-11/h5-10H,4H2,1-3H3,(H,21,25)
InChIKeySVRWNXJODSDYGB-UHFFFAOYSA-N
XLogP2.65
TPSA93.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.37
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[5-(4-fluorophenyl)-1,2-oxazole-3-carbonyl]amino]-1-methylpyrazole-5-carboxylic acid
CID 19406237
N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 95744309
N-(5-carbamoyl-1-methylpyrazol-4-yl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 4862758
N-[(2S)-butan-2-yl]-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 41098446
N-[(1-ethylpyrazol-4-yl)methyl]-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 19290726
4-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]amino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide
CID 19339970
N-[1-ethyl-3-(2-methylpropylcarbamoyl)pyrazol-4-yl]-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 19402672
4-[[5-[(2,4-difluorophenoxy)methyl]furan-2-carbonyl]amino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide
CID 19453358
5-(4-fluorophenyl)-N-pentan-2-yl-1,2-oxazole-3-carboxamide
CID 133149974
5-(1-ethylpyrazol-4-yl)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-1,2-oxazole-3-carboxamide
CID 46975544
5-(4-ethoxyphenyl)-N-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 17010994
methyl 2-[[5-(4-fluorophenyl)-1,2-oxazole-3-carbonyl]amino]benzoate
CID 3571866

Frequently Asked Questions

What is the IUPAC name of N-[5-(dimethylcarbamoyl)-1-ethylpyrazol-4-yl]-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[5-(dimethylcarbamoyl)-1-ethylpyrazol-4-yl]-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide (CID 19339982) is N-[5-(dimethylcarbamoyl)-1-ethylpyrazol-4-yl]-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[5-(dimethylcarbamoyl)-1-ethylpyrazol-4-yl]-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[5-(dimethylcarbamoyl)-1-ethylpyrazol-4-yl]-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide is CCn1ncc(NC(=O)c2cc(-c3ccc(F)cc3)on2)c1C(=O)N(C)C.
What is the InChIKey of N-[5-(dimethylcarbamoyl)-1-ethylpyrazol-4-yl]-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is SVRWNXJODSDYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O3/c1-4-24-16(18(26)23(2)3)14(10-20-24)21-17(25)13-9-15(27-22-13)11-5-7-12(19)8-6-11/h5-10H,4H2,1-3H3,(H,21,25).
What are the key properties of N-[5-(dimethylcarbamoyl)-1-ethylpyrazol-4-yl]-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide?
N-[5-(dimethylcarbamoyl)-1-ethylpyrazol-4-yl]-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 371.37 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(dimethylcarbamoyl)-1-ethylpyrazol-4-yl]-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 19339982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).