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

C20H22N4O2 — CID 57422295

IUPACN-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-N-methyl-1-phenylcyclopropane-1-carboxamide
SMILESCc1noc(C)c1Cn1cc(N(C)C(=O)C2(c3ccccc3)CC2)cn1
InChIInChI=1S/C20H22N4O2/c1-14-18(15(2)26-22-14)13-24-12-17(11-21-24)23(3)19(25)20(9-10-20)16-7-5-4-6-8-16/h4-8,11-12H,9-10,13H2,1-3H3
InChIKeyKJYRPGWGFCPEEH-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.23
Rot. Bonds5

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

N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-N-methyl-1-phenylcyclopropane-1-carboxamide (PubChem CID 57422295) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-N-methyl-1-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-N-methyl-1-phenylcyclopropane-1-carboxamide
PubChem CID57422295
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC NameN-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-N-methyl-1-phenylcyclopropane-1-carboxamide
SMILESCc1noc(C)c1Cn1cc(N(C)C(=O)C2(c3ccccc3)CC2)cn1
InChIInChI=1S/C20H22N4O2/c1-14-18(15(2)26-22-14)13-24-12-17(11-21-24)23(3)19(25)20(9-10-20)16-7-5-4-6-8-16/h4-8,11-12H,9-10,13H2,1-3H3
InChIKeyKJYRPGWGFCPEEH-UHFFFAOYSA-N
XLogP3.23
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.23
H-Bond Donors ≤ 50
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]-N-methyl-1-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-N-methyl-1-phenylcyclopropane-1-carboxamide (CID 57422295) is N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-N-methyl-1-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-N-methyl-1-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-N-methyl-1-phenylcyclopropane-1-carboxamide is Cc1noc(C)c1Cn1cc(N(C)C(=O)C2(c3ccccc3)CC2)cn1.
What is the InChIKey of N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-N-methyl-1-phenylcyclopropane-1-carboxamide?
The InChIKey is KJYRPGWGFCPEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-14-18(15(2)26-22-14)13-24-12-17(11-21-24)23(3)19(25)20(9-10-20)16-7-5-4-6-8-16/h4-8,11-12H,9-10,13H2,1-3H3.
What are the key properties of N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-N-methyl-1-phenylcyclopropane-1-carboxamide?
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-N-methyl-1-phenylcyclopropane-1-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 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]-N-methyl-1-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 57422295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).