N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-phenylcyclopropane-1-carboxamide

C19H20N4O2 — CID 57422269

IUPACN-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-phenylcyclopropane-1-carboxamide
SMILESCc1noc(C)c1Cn1cc(NC(=O)C2(c3ccccc3)CC2)cn1
InChIInChI=1S/C19H20N4O2/c1-13-17(14(2)25-22-13)12-23-11-16(10-20-23)21-18(24)19(8-9-19)15-6-4-3-5-7-15/h3-7,10-11H,8-9,12H2,1-2H3,(H,21,24)
InChIKeyRZOARBRGWDLUNL-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.21
Rot. Bonds5

About N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-phenylcyclopropane-1-carboxamide

N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-phenylcyclopropane-1-carboxamide (PubChem CID 57422269) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-phenylcyclopropane-1-carboxamide
PubChem CID57422269
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC NameN-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-phenylcyclopropane-1-carboxamide
SMILESCc1noc(C)c1Cn1cc(NC(=O)C2(c3ccccc3)CC2)cn1
InChIInChI=1S/C19H20N4O2/c1-13-17(14(2)25-22-13)12-23-11-16(10-20-23)21-18(24)19(8-9-19)15-6-4-3-5-7-15/h3-7,10-11H,8-9,12H2,1-2H3,(H,21,24)
InChIKeyRZOARBRGWDLUNL-UHFFFAOYSA-N
XLogP3.21
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-phenylcyclopropane-1-carboxamide (CID 57422269) is N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-phenylcyclopropane-1-carboxamide is Cc1noc(C)c1Cn1cc(NC(=O)C2(c3ccccc3)CC2)cn1.
What is the InChIKey of N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-phenylcyclopropane-1-carboxamide?
The InChIKey is RZOARBRGWDLUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-13-17(14(2)25-22-13)12-23-11-16(10-20-23)21-18(24)19(8-9-19)15-6-4-3-5-7-15/h3-7,10-11H,8-9,12H2,1-2H3,(H,21,24).
What are the key properties of N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-phenylcyclopropane-1-carboxamide?
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-phenylcyclopropane-1-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 57422269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).