5-chloro-N-[(5-phenyl-1,3-oxazol-4-yl)methyl]-1-propylpyrazole-4-carboxamide

C17H17ClN4O2 — CID 167969893

IUPAC5-chloro-N-[(5-phenyl-1,3-oxazol-4-yl)methyl]-1-propylpyrazole-4-carboxamide
SMILESCCCn1ncc(C(=O)NCc2ncoc2-c2ccccc2)c1Cl
InChIInChI=1S/C17H17ClN4O2/c1-2-8-22-16(18)13(9-21-22)17(23)19-10-14-15(24-11-20-14)12-6-4-3-5-7-12/h3-7,9,11H,2,8,10H2,1H3,(H,19,23)
InChIKeyVGFXYYRIWIBNOD-UHFFFAOYSA-N
MW344.80 g/mol
LogP3.53
Rot. Bonds6

About 5-chloro-N-[(5-phenyl-1,3-oxazol-4-yl)methyl]-1-propylpyrazole-4-carboxamide

5-chloro-N-[(5-phenyl-1,3-oxazol-4-yl)methyl]-1-propylpyrazole-4-carboxamide (PubChem CID 167969893) has the molecular formula C17H17ClN4O2 and a molecular weight of 344.80 g/mol. Its IUPAC name is 5-chloro-N-[(5-phenyl-1,3-oxazol-4-yl)methyl]-1-propylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(5-phenyl-1,3-oxazol-4-yl)methyl]-1-propylpyrazole-4-carboxamide
PubChem CID167969893
Molecular FormulaC17H17ClN4O2
Molecular Weight344.80 g/mol
Exact Mass344.10
IUPAC Name5-chloro-N-[(5-phenyl-1,3-oxazol-4-yl)methyl]-1-propylpyrazole-4-carboxamide
SMILESCCCn1ncc(C(=O)NCc2ncoc2-c2ccccc2)c1Cl
InChIInChI=1S/C17H17ClN4O2/c1-2-8-22-16(18)13(9-21-22)17(23)19-10-14-15(24-11-20-14)12-6-4-3-5-7-12/h3-7,9,11H,2,8,10H2,1H3,(H,19,23)
InChIKeyVGFXYYRIWIBNOD-UHFFFAOYSA-N
XLogP3.53
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[(5-phenyl-1,3-oxazol-4-yl)methyl]butanamide;hydrochloride
CID 119788971
N-[(4-chloro-1-methylindazol-3-yl)methyl]-5-phenyl-1,2-oxazole-4-carboxamide
CID 119068533
N-[(5-phenyl-1,3-oxazol-4-yl)methyl]propan-2-amine
CID 79145650
4-butyl-5-phenyl-1,3-oxazole
CID 119082964
1-methyl-N-[(5-phenyl-1,3-oxazol-4-yl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120971666
5-chloro-1-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyrazole-4-carboxamide
CID 146152159
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-5-methyl-1-propylpyrazole-4-carboxamide
CID 72855145
N-[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]-5-methyl-1-propylpyrazole-4-carboxamide
CID 97116423
(2R)-2-methyl-3-[(5-methyl-1-propylpyrazole-4-carbonyl)amino]propanoic acid
CID 97283275
N-benzyl-4-chloro-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 59854949
N-(2-aminoethyl)-5-methyl-1-propylpyrazole-4-carboxamide
CID 19621017
5-chloro-1-methyl-N-(3-phenylpropyl)pyrazole-4-carboxamide
CID 68674787

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(5-phenyl-1,3-oxazol-4-yl)methyl]-1-propylpyrazole-4-carboxamide?
The IUPAC name of 5-chloro-N-[(5-phenyl-1,3-oxazol-4-yl)methyl]-1-propylpyrazole-4-carboxamide (CID 167969893) is 5-chloro-N-[(5-phenyl-1,3-oxazol-4-yl)methyl]-1-propylpyrazole-4-carboxamide.
What is the SMILES notation for 5-chloro-N-[(5-phenyl-1,3-oxazol-4-yl)methyl]-1-propylpyrazole-4-carboxamide?
The canonical SMILES for 5-chloro-N-[(5-phenyl-1,3-oxazol-4-yl)methyl]-1-propylpyrazole-4-carboxamide is CCCn1ncc(C(=O)NCc2ncoc2-c2ccccc2)c1Cl.
What is the InChIKey of 5-chloro-N-[(5-phenyl-1,3-oxazol-4-yl)methyl]-1-propylpyrazole-4-carboxamide?
The InChIKey is VGFXYYRIWIBNOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O2/c1-2-8-22-16(18)13(9-21-22)17(23)19-10-14-15(24-11-20-14)12-6-4-3-5-7-12/h3-7,9,11H,2,8,10H2,1H3,(H,19,23).
What are the key properties of 5-chloro-N-[(5-phenyl-1,3-oxazol-4-yl)methyl]-1-propylpyrazole-4-carboxamide?
5-chloro-N-[(5-phenyl-1,3-oxazol-4-yl)methyl]-1-propylpyrazole-4-carboxamide has a molecular weight of 344.80 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(5-phenyl-1,3-oxazol-4-yl)methyl]-1-propylpyrazole-4-carboxamide is sourced from PubChem (CID 167969893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).