5-[(5-chloro-3-pyridinyl)oxymethyl]-N-cyclopropyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide

C20H22ClN5O3 — CID 42394007

IUPAC5-[(5-chloro-3-pyridinyl)oxymethyl]-N-cyclopropyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide
SMILESCc1nn(C)c(C)c1CN(C(=O)c1cc(COc2cncc(Cl)c2)on1)C1CC1
InChIInChI=1S/C20H22ClN5O3/c1-12-18(13(2)25(3)23-12)10-26(15-4-5-15)20(27)19-7-17(29-24-19)11-28-16-6-14(21)8-22-9-16/h6-9,15H,4-5,10-11H2,1-3H3
InChIKeyOJODQZIGGROHCX-UHFFFAOYSA-N
MW415.88 g/mol
LogP3.46
Rot. Bonds7

About 5-[(5-chloro-3-pyridinyl)oxymethyl]-N-cyclopropyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide

5-[(5-chloro-3-pyridinyl)oxymethyl]-N-cyclopropyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide (PubChem CID 42394007) has the molecular formula C20H22ClN5O3 and a molecular weight of 415.88 g/mol. Its IUPAC name is 5-[(5-chloro-3-pyridinyl)oxymethyl]-N-cyclopropyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[(5-chloro-3-pyridinyl)oxymethyl]-N-cyclopropyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide
PubChem CID42394007
Molecular FormulaC20H22ClN5O3
Molecular Weight415.88 g/mol
Exact Mass415.14
IUPAC Name5-[(5-chloro-3-pyridinyl)oxymethyl]-N-cyclopropyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide
SMILESCc1nn(C)c(C)c1CN(C(=O)c1cc(COc2cncc(Cl)c2)on1)C1CC1
InChIInChI=1S/C20H22ClN5O3/c1-12-18(13(2)25(3)23-12)10-26(15-4-5-15)20(27)19-7-17(29-24-19)11-28-16-6-14(21)8-22-9-16/h6-9,15H,4-5,10-11H2,1-3H3
InChIKeyOJODQZIGGROHCX-UHFFFAOYSA-N
XLogP3.46
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.88
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-chloro-3-pyridinyl)oxymethyl]-N-cyclopropyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[(5-chloro-3-pyridinyl)oxymethyl]-N-cyclopropyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide (CID 42394007) is 5-[(5-chloro-3-pyridinyl)oxymethyl]-N-cyclopropyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[(5-chloro-3-pyridinyl)oxymethyl]-N-cyclopropyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[(5-chloro-3-pyridinyl)oxymethyl]-N-cyclopropyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide is Cc1nn(C)c(C)c1CN(C(=O)c1cc(COc2cncc(Cl)c2)on1)C1CC1.
What is the InChIKey of 5-[(5-chloro-3-pyridinyl)oxymethyl]-N-cyclopropyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is OJODQZIGGROHCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN5O3/c1-12-18(13(2)25(3)23-12)10-26(15-4-5-15)20(27)19-7-17(29-24-19)11-28-16-6-14(21)8-22-9-16/h6-9,15H,4-5,10-11H2,1-3H3.
What are the key properties of 5-[(5-chloro-3-pyridinyl)oxymethyl]-N-cyclopropyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide?
5-[(5-chloro-3-pyridinyl)oxymethyl]-N-cyclopropyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 415.88 g/mol, XLogP of 3.46, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-chloro-3-pyridinyl)oxymethyl]-N-cyclopropyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 42394007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).