N-methyl-5-(phenoxymethyl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide

C19H22N4O3 — CID 56717039

IUPACN-methyl-5-(phenoxymethyl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide
SMILESCC(C)n1cc(CN(C)C(=O)c2cc(COc3ccccc3)on2)cn1
InChIInChI=1S/C19H22N4O3/c1-14(2)23-12-15(10-20-23)11-22(3)19(24)18-9-17(26-21-18)13-25-16-7-5-4-6-8-16/h4-10,12,14H,11,13H2,1-3H3
InChIKeyVSMLCMVZRPSUFD-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.30
Rot. Bonds7

About N-methyl-5-(phenoxymethyl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide

N-methyl-5-(phenoxymethyl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide (PubChem CID 56717039) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-methyl-5-(phenoxymethyl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-5-(phenoxymethyl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide
PubChem CID56717039
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC NameN-methyl-5-(phenoxymethyl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide
SMILESCC(C)n1cc(CN(C)C(=O)c2cc(COc3ccccc3)on2)cn1
InChIInChI=1S/C19H22N4O3/c1-14(2)23-12-15(10-20-23)11-22(3)19(24)18-9-17(26-21-18)13-25-16-7-5-4-6-8-16/h4-10,12,14H,11,13H2,1-3H3
InChIKeyVSMLCMVZRPSUFD-UHFFFAOYSA-N
XLogP3.30
TPSA73.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(phenoxymethyl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-methyl-5-(phenoxymethyl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide (CID 56717039) is N-methyl-5-(phenoxymethyl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-methyl-5-(phenoxymethyl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-methyl-5-(phenoxymethyl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide is CC(C)n1cc(CN(C)C(=O)c2cc(COc3ccccc3)on2)cn1.
What is the InChIKey of N-methyl-5-(phenoxymethyl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is VSMLCMVZRPSUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-14(2)23-12-15(10-20-23)11-22(3)19(24)18-9-17(26-21-18)13-25-16-7-5-4-6-8-16/h4-10,12,14H,11,13H2,1-3H3.
What are the key properties of N-methyl-5-(phenoxymethyl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide?
N-methyl-5-(phenoxymethyl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 3.30, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(phenoxymethyl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 56717039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).