N-methyl-5-[(6-methyl-3-pyridinyl)oxymethyl]-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide

C20H25N5O3 — CID 28685109

IUPACN-methyl-5-[(6-methyl-3-pyridinyl)oxymethyl]-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide
SMILESCc1ccc(OCc2cc(C(=O)N(C)[C@@H](C)c3c(C)nn(C)c3C)no2)cn1
InChIInChI=1S/C20H25N5O3/c1-12-7-8-16(10-21-12)27-11-17-9-18(23-28-17)20(26)24(5)14(3)19-13(2)22-25(6)15(19)4/h7-10,14H,11H2,1-6H3/t14-/m0/s1
InChIKeyGVXOKCKXNYZFFR-AWEZNQCLSA-N
MW383.45 g/mol
LogP3.14
Rot. Bonds6

About N-methyl-5-[(6-methyl-3-pyridinyl)oxymethyl]-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide

N-methyl-5-[(6-methyl-3-pyridinyl)oxymethyl]-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide (PubChem CID 28685109) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-methyl-5-[(6-methyl-3-pyridinyl)oxymethyl]-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-5-[(6-methyl-3-pyridinyl)oxymethyl]-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide
PubChem CID28685109
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC NameN-methyl-5-[(6-methyl-3-pyridinyl)oxymethyl]-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide
SMILESCc1ccc(OCc2cc(C(=O)N(C)[C@@H](C)c3c(C)nn(C)c3C)no2)cn1
InChIInChI=1S/C20H25N5O3/c1-12-7-8-16(10-21-12)27-11-17-9-18(23-28-17)20(26)24(5)14(3)19-13(2)22-25(6)15(19)4/h7-10,14H,11H2,1-6H3/t14-/m0/s1
InChIKeyGVXOKCKXNYZFFR-AWEZNQCLSA-N
XLogP3.14
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[(6-methyl-3-pyridinyl)oxymethyl]-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-methyl-5-[(6-methyl-3-pyridinyl)oxymethyl]-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide (CID 28685109) is N-methyl-5-[(6-methyl-3-pyridinyl)oxymethyl]-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-methyl-5-[(6-methyl-3-pyridinyl)oxymethyl]-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-methyl-5-[(6-methyl-3-pyridinyl)oxymethyl]-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide is Cc1ccc(OCc2cc(C(=O)N(C)[C@@H](C)c3c(C)nn(C)c3C)no2)cn1.
What is the InChIKey of N-methyl-5-[(6-methyl-3-pyridinyl)oxymethyl]-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is GVXOKCKXNYZFFR-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-12-7-8-16(10-21-12)27-11-17-9-18(23-28-17)20(26)24(5)14(3)19-13(2)22-25(6)15(19)4/h7-10,14H,11H2,1-6H3/t14-/m0/s1.
What are the key properties of N-methyl-5-[(6-methyl-3-pyridinyl)oxymethyl]-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide?
N-methyl-5-[(6-methyl-3-pyridinyl)oxymethyl]-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 383.45 g/mol, XLogP of 3.14, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[(6-methyl-3-pyridinyl)oxymethyl]-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 28685109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).