4-[(2,6-difluorobenzoyl)amino]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1H-pyrazole-5-carboxamide

C16H13F2N5O3 — CID 59733467

IUPAC4-[(2,6-difluorobenzoyl)amino]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1H-pyrazole-5-carboxamide
SMILESCc1cc(CNC(=O)c2[nH]ncc2NC(=O)c2c(F)cccc2F)no1
InChIInChI=1S/C16H13F2N5O3/c1-8-5-9(23-26-8)6-19-16(25)14-12(7-20-22-14)21-15(24)13-10(17)3-2-4-11(13)18/h2-5,7H,6H2,1H3,(H,19,25)(H,20,22)(H,21,24)
InChIKeyRSASJNWFDXQTDG-UHFFFAOYSA-N
MW361.31 g/mol
LogP2.17
Rot. Bonds5

About 4-[(2,6-difluorobenzoyl)amino]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1H-pyrazole-5-carboxamide

4-[(2,6-difluorobenzoyl)amino]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1H-pyrazole-5-carboxamide (PubChem CID 59733467) has the molecular formula C16H13F2N5O3 and a molecular weight of 361.31 g/mol. Its IUPAC name is 4-[(2,6-difluorobenzoyl)amino]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[(2,6-difluorobenzoyl)amino]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1H-pyrazole-5-carboxamide
PubChem CID59733467
Molecular FormulaC16H13F2N5O3
Molecular Weight361.31 g/mol
Exact Mass361.10
IUPAC Name4-[(2,6-difluorobenzoyl)amino]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1H-pyrazole-5-carboxamide
SMILESCc1cc(CNC(=O)c2[nH]ncc2NC(=O)c2c(F)cccc2F)no1
InChIInChI=1S/C16H13F2N5O3/c1-8-5-9(23-26-8)6-19-16(25)14-12(7-20-22-14)21-15(24)13-10(17)3-2-4-11(13)18/h2-5,7H,6H2,1H3,(H,19,25)(H,20,22)(H,21,24)
InChIKeyRSASJNWFDXQTDG-UHFFFAOYSA-N
XLogP2.17
TPSA112.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.31
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-difluorobenzoyl)amino]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-[(2,6-difluorobenzoyl)amino]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1H-pyrazole-5-carboxamide (CID 59733467) is 4-[(2,6-difluorobenzoyl)amino]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-[(2,6-difluorobenzoyl)amino]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-[(2,6-difluorobenzoyl)amino]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1H-pyrazole-5-carboxamide is Cc1cc(CNC(=O)c2[nH]ncc2NC(=O)c2c(F)cccc2F)no1.
What is the InChIKey of 4-[(2,6-difluorobenzoyl)amino]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1H-pyrazole-5-carboxamide?
The InChIKey is RSASJNWFDXQTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N5O3/c1-8-5-9(23-26-8)6-19-16(25)14-12(7-20-22-14)21-15(24)13-10(17)3-2-4-11(13)18/h2-5,7H,6H2,1H3,(H,19,25)(H,20,22)(H,21,24).
What are the key properties of 4-[(2,6-difluorobenzoyl)amino]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1H-pyrazole-5-carboxamide?
4-[(2,6-difluorobenzoyl)amino]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1H-pyrazole-5-carboxamide has a molecular weight of 361.31 g/mol, XLogP of 2.17, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-difluorobenzoyl)amino]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 59733467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).