N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-(1H-pyrazol-4-yl)propanamide

C12H16N4O2 — CID 131903333

IUPACN-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-(1H-pyrazol-4-yl)propanamide
SMILESCc1cc(CN(C)C(=O)CCc2cn[nH]c2)on1
InChIInChI=1S/C12H16N4O2/c1-9-5-11(18-15-9)8-16(2)12(17)4-3-10-6-13-14-7-10/h5-7H,3-4,8H2,1-2H3,(H,13,14)
InChIKeyFSHAVLDWDKKKNM-UHFFFAOYSA-N
MW248.29 g/mol
LogP1.30
Rot. Bonds5

About N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-(1H-pyrazol-4-yl)propanamide

N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-(1H-pyrazol-4-yl)propanamide (PubChem CID 131903333) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-(1H-pyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-(1H-pyrazol-4-yl)propanamide
PubChem CID131903333
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC NameN-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-(1H-pyrazol-4-yl)propanamide
SMILESCc1cc(CN(C)C(=O)CCc2cn[nH]c2)on1
InChIInChI=1S/C12H16N4O2/c1-9-5-11(18-15-9)8-16(2)12(17)4-3-10-6-13-14-7-10/h5-7H,3-4,8H2,1-2H3,(H,13,14)
InChIKeyFSHAVLDWDKKKNM-UHFFFAOYSA-N
XLogP1.30
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-(1H-pyrazol-4-yl)propanamide?
The IUPAC name of N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-(1H-pyrazol-4-yl)propanamide (CID 131903333) is N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-(1H-pyrazol-4-yl)propanamide.
What is the SMILES notation for N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-(1H-pyrazol-4-yl)propanamide?
The canonical SMILES for N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-(1H-pyrazol-4-yl)propanamide is Cc1cc(CN(C)C(=O)CCc2cn[nH]c2)on1.
What is the InChIKey of N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-(1H-pyrazol-4-yl)propanamide?
The InChIKey is FSHAVLDWDKKKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-9-5-11(18-15-9)8-16(2)12(17)4-3-10-6-13-14-7-10/h5-7H,3-4,8H2,1-2H3,(H,13,14).
What are the key properties of N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-(1H-pyrazol-4-yl)propanamide?
N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-(1H-pyrazol-4-yl)propanamide has a molecular weight of 248.29 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-(1H-pyrazol-4-yl)propanamide is sourced from PubChem (CID 131903333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).